SCHEMBL158259

SCHEMBL158259

[S]c1cccc2c1ccc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.67
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 4/20 0.57
CYP2A6 P11509 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 2/20 0.57
PAX8 Q06710 1/20 0.48
CYP1A2 P05177 5/20 0.48
HPGD P15428 3/20 0.48
HIF1A Q16665 2/20 0.48
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
PMP22 Q01453 1/20 0.44
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2646 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Fluoride SCHEMBL6276619 0.82 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29451340 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL27115 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29640482 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL31177955 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL384031 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL9786466 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL25510 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL30433768 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 222 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
WO-2024122572-A1 WAVELENGTH CONVERSION FILM-FORMING COMPOSITION AND FUSED THIOPHENE COMPOUND 日産化学株式会社 2024-06-13 WO disclosed
CN-117598046-A Organic electroluminescent element 保土谷化学工业株式会社 2024-02-23 CN disclosed
CN-117304488-A Polymaleimide resin, curable composition, cured product, prepreg, circuit board, and laminated film DIC株式会社 2023-12-29 CN disclosed
CN-111989317-B Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer, optical film, optically anisotropic body, and polarizing plate 日本瑞翁株式会社 2023-12-01 CN disclosed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
CN-116891634-A Curable composition, cured product, prepreg, circuit board, laminated film, semiconductor sealing material, and semiconductor device DIC株式会社 2023-10-17 CN disclosed
CN-116891632-A Curable composition, cured product, prepreg, circuit board, laminate film, semiconductor sealing material, and semiconductor device DIC株式会社 2023-10-17 CN disclosed
CN-116891633-A Curable composition, cured product, prepreg, circuit board, laminate film, semiconductor sealing material, and semiconductor device DIC株式会社 2023-10-17 CN disclosed
CN-116891635-A Curable composition, cured product, prepreg, circuit board, laminated film, semiconductor sealing material, and semiconductor device DIC株式会社 2023-10-17 CN disclosed
US-6162828-A IMMUNOLOGY; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; BONE DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-19 US disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed
EP-0820464-A2 CYSTEINE PROTEASE INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1998-01-28 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 US disclosed
EP-0749426-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
WO-1996030395-A2 CYSTEINE PROTEASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-03 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
WO-1995024394-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-09-14 WO disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed