SCHEMBL10585221

SCHEMBL10585221

Cc1nc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8510766 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5205307 0.85 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL8510613 0.84 DCTPP1 (0.48) SMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL5207846 0.82 PTGS2 (0.62) SMN1; SMN2
SCHEMBL6885889 0.82 PTGS2 (0.55) SMN1; SMN2
SCHEMBL24441105 0.81 TP53 (0.53) NPC1RAB9AALDH1A1LMNACYP1A2
SCHEMBL5201569 0.81 PTGS2 (0.62) CYP2C9
SCHEMBL6165726 0.81 KDM4E (0.44) SMN1; SMN2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL2339443 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL31469357 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310555-A1 Derivatives of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid for crop protection against the phytotoxic activity of herbicides CIBA-GEIGY AG (CH) 1989-04-05 EP claimed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-20190189933-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ELECTRON TRANSPORT DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2019-06-20 US disclosed
EP-0310555-A1 Derivatives of 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid for crop protection against the phytotoxic activity of herbicides CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed