SCHEMBL131747

SCHEMBL131747

[NH]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
SCHEMBL8059977 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL49402 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29640482 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL9786466 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL29792076 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL31177955 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL384031 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL25510 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL27115 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL29355502 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 252 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557956-A Large condensed ring organic compound, application thereof and organic electroluminescent device comprising large condensed ring organic compound 北京鼎材科技有限公司 2023-01-03 CN claimed
CN-115385933-A Compound, application thereof and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2022-11-25 CN claimed
CN-113929712-B Simple preparation method of benzyl borate compound 山东大学 2022-11-18 CN claimed
CN-115124460-A Dinaphthalene axis chiral ligand containing coordination unit and preparation method and application thereof 华东理工大学 2022-09-30 CN claimed
CN-113929714-A Preparation method of chiral benzyl silane compound 山东大学 2022-01-14 CN claimed
CN-113929712-A Simple preparation method of benzyl borate compound 山东大学 2022-01-14 CN claimed
CN-118307465-A Organic compound, application thereof and organic electroluminescent device comprising same 北京鼎材科技有限公司 2024-07-09 CN disclosed
CN-118290451-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-07-05 CN disclosed
CN-118271346-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-07-02 CN disclosed
CN-118271345-A Polycyclic aromatic compound and application thereof 北京鼎材科技有限公司 2024-07-02 CN disclosed
CN-118271186-A Organic compound and application thereof 北京鼎材科技有限公司 2024-07-02 CN disclosed
CN-118255793-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-06-28 CN disclosed
CN-118255792-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-06-28 CN disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0968250-A1 SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS Ciba SC Holding AG (CH) 2000-01-05 EP disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998032802-A1 SOLUBLE CHROMOPHORES HAVING IMPROVED SOLUBILISING GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-30 WO disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed