SCHEMBL6533210

SCHEMBL6533210

NC(=O)Nc1ccc2cccc(C(=O)Nc3cccs3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR4 P22455 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PARP1 P09874 3/20 0.38
PDE10A Q9Y233 1/20 0.38
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGES O14684 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL21532933 0.81 PARP1 (0.54) MAPK1RAB9ANPC1GAAHTT
SCHEMBL6928574 0.72 MEN1 (0.56) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL569283 0.72
Hydrochloric Acid SCHEMBL8715905 0.70 GAA (0.53) MAPK1RAB9ANPC1GAAHTT
Ammonia Solution, Strong SCHEMBL1532118 0.70 GAA (0.53) MAPK1RAB9ANPC1GAAHTT
SCHEMBL22720444 0.68 GAA (0.57) MAPK1RAB9ANPC1GAAHTT
SCHEMBL6532742 0.66 NR3C1 (0.44) MAPK1RAB9ANPC1GAAHTT
SCHEMBL7195570 0.65 KMT2A (0.55) MAPK1RAB9ANPC1GAAHTT
SCHEMBL9413728 0.65 MEN1 (0.55) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL10351939 0.65 METAP2 (0.58) MAPK1RAB9ANPC1GAAHTT

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
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed