SCHEMBL1970416

SCHEMBL1970416

Cc1ccnc(NC(=O)c2ccc(N)c(N)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.63
RAB9A P51151 10/20 0.63
PKM P14618 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL1965130 0.83 LMNA (0.75) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL16604283 0.83 NPC1 (0.76) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL1520310 0.82 NPC1 (0.65) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL17675306 0.81 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL8555112 0.81 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL1972210 0.80 ALOX15 (0.52) HSD17B10
SCHEMBL2946989 0.79 NPC1 (0.71) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL16594545 0.79 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL21349103 0.79 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL26293792 0.79 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed