SCHEMBL841623

SCHEMBL841623

CCc1ccc(N)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
TRPA1 O75762 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SKP2 Q13309 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL30361149 1.00 NOS3 (0.46) NOS3NOS1NOS2TRPA1SMN1; SMN2
Hydrochloric Acid SCHEMBL10510166 0.97 NOS3 (0.45) NOS3NOS1NOS2TRPA1SMN1; SMN2
Fluorobenzene SCHEMBL28036821 0.84 CYP1A2 (0.42) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL10371269 0.82 SLC6A2 (0.36) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL394899 0.82 NOS3 (0.45) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL5005675 0.80 TDP1 (0.52) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL394746 0.80 ALDH1A1 (0.48) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL5604961 0.80 SKP2 (0.53) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL7747249 0.80 SKP2 (0.64) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL18951781 0.80 SLC6A2 (0.50) NOS3NOS1NOS2TRPA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063238-A Java oxine compound and preparation method thereof 上海交通大学 2023-05-05 CN claimed
CN-115974796-A Woxine medicinal molecule and preparation method thereof 上海交通大学 2023-04-18 CN claimed
CN-104817459-B The method for generating cyclic aliphatic two-and polyamines for Hydrogenated aromatic two-and polyamines 科思创德国股份有限公司 2019-03-08 CN claimed
US-20250263519-A1 EPOXY RESIN CURING AGENT, EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF, FIBER-REINFORCED COMPOSITE MATERIAL, AND HIGH-PRESSURE GAS CONTAINER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-08-21 US disclosed
EP-4512842-A1 EPOXY RESIN CURING AGENT, EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF, FIBER-REINFORCED COMPOSITE MATERIAL, AND HIGH-PRESSURE GAS CONTAINER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-02-26 EP disclosed
WO-2023203891-A1 EPOXY RESIN CURING AGENT, EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF, FIBER-REINFORCED COMPOSITE MATERIAL, AND HIGH-PRESSURE GAS CONTAINER 三菱瓦斯化学株式会社 2023-10-26 WO disclosed
CN-116063238-A Java oxine compound and preparation method thereof 上海交通大学 2023-05-05 CN disclosed
EP-3657590-B1 METALLIC SALT CONTAINING ANION HAVING HETEROCYCLIC AROMATIC STRUCTURE, METHOD OF PREPARING THE SAME, AS WELL AS ELECTROLYTE AND ELECTROCHEMICAL DEVICE EACH INCLUDING THE METALLIC SALT SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-26 EP disclosed
CN-115974796-A Woxine medicinal molecule and preparation method thereof 上海交通大学 2023-04-18 CN disclosed
WO-2021095032-A1 GLUCOSE UPTAKE INHIBITORS AND USES THEREOF METABOMED LTD (IL) 2021-05-20 WO disclosed
EP-3774028-A1 HETEROGENEOUS CATALYSTS FOR THE SYNTHESIS OF CARBAMATES Covestro Intellectual Property GmbH & Co. KG (DE) 2021-02-17 EP disclosed
US-4336383-A 1-1-Binaphthyl-4,4',5,5',8,8'-hexacarboxylic acid compounds, method of preparation and use thereof for the synthesis of asymmetric derivatives of 3,4,9,10-perylenetetracarboxylic acid, and for dyeing and printing of textile materials VOROZHTSOV GEORGY N 1982-06-22 US disclosed
US-4138568-A NITRO-O-PHENYLENEDIAMINE, UREA, HALOBENZENE SOLVENT CIBA-GEIGY CORPORATION (US) 1979-02-06 US disclosed
US-4128582-A Chemical process ETHYL CORPORATION (US) 1978-12-05 US disclosed
US-4008225-A Process for the manufacture of bis-azomethine metal complex colorants CIBA-GEIGY CORPORATION (US) 1977-02-15 US disclosed
US-3997553-A 2-Benzimidazolecarbamic acid esters by the cyanamide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 US disclosed
US-3992378-A HYPNOTIC AGENTS ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3965092-A HEAT EXCHANGE, SURFACTANTS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-06-22 US disclosed
US-3963708-A Bis-azomethine metal complex colorants from hydroxycoumarin derivatives or hydroxychromone derivatives CIBA-GEIGY CORPORATION (US) 1976-06-15 US disclosed
US-3962440-A Quinoxaline compounds as hypnotic agents ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed