SCHEMBL10933434

SCHEMBL10933434

C#CCOc1nc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MALT1 Q9UDY8 2/20 0.44
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6132361 0.81 PTGS2 (0.68) MALT1PTGS1PTGS2LMNAMAOB
SCHEMBL10932402 0.80 MAOB (0.42) SMN1; SMN2ALDH1A1LMNAMAOBMAOA
SCHEMBL23410532 0.78 SMN1; SMN2 (0.57) SMN1; SMN2MALT1PTGS1PTGS2ALDH1A1
SCHEMBL24747889 0.75 PTGS1 (0.69) SMN1; SMN2MALT1PTGS1PTGS2ALDH1A1
SCHEMBL3353886 0.74 PTGS2 (0.51) PTGS1PTGS2
SCHEMBL3355870 0.72 PTGS2 (0.55) MALT1PTGS1PTGS2
SCHEMBL23410754 0.72 MALT1 (0.50) SMN1; SMN2MALT1ALDH1A1LMNAHSD17B10
SCHEMBL9489168 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MALT1ALDH1A1LMNACYP1A2
SCHEMBL23420761 0.70 SMN1; SMN2 (0.57) SMN1; SMN2MALT1PTGS1PTGS2ALDH1A1
SCHEMBL3355646 0.68 PTGS2 (0.57) PTGS1PTGS2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60233066-A None JP disclosed
JP-S60233066-A 1,5-DIPHENYLTRIAZOLE DERIVATIVE AND ITS PREPARATION NIPPON NOHYAKU CO LTD 1985-11-19 JP disclosed