SCHEMBL9470962

SCHEMBL9470962

COc1ccc(N(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FPR2 P25090 1/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KCNK3 O14649 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
CASR P41180 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 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
SCHEMBL9472191 0.91 KMT2A (0.55) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9471395 0.88 CASR (0.59) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL9153540 0.85 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9158424 0.84 NPC1 (0.55) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9472100 0.83 MEN1 (0.51) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9298232 0.83 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9298227 0.83 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9471740 0.79 KMT2A (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9138009 0.79 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2NFKB1
SCHEMBL9131910 0.79 RAB9A (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed