SCHEMBL6976438

SCHEMBL6976438

COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc(O)c(O)c4)CC3)nc(N)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.45
EGLN1 Q9GZT9 1/20 0.43
LMNA P02545 1/20 0.42
FASN P49327 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPK7 Q13164 1/20 0.41
MGLL Q99685 1/20 0.41
TRPC6 Q9Y210 2/20 0.41
HTR2B P41595 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41

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
SCHEMBL6976878 0.88 HSD11B1 (0.51) RAB9AKMT2ALMNAGAAHSD11B1
SCHEMBL7123772 0.86 SMN1; SMN2 (0.51) NPC1RAB9AKMT2A
SCHEMBL6972446 0.83 HSD17B10 (0.48) NPC1RAB9ALMNAHSD11B1MAPK7
SCHEMBL6972466 0.81 ALDH1A1 (0.44) RAB9AKMT2ALMNAGAATRPC6
SCHEMBL6981137 0.78 SMN1; SMN2 (0.54) KMT2AGAA
SCHEMBL6981142 0.78 GLA (0.55) KMT2A
SCHEMBL6980741 0.76 HPGD (0.47) KMT2ALMNAGAAMGLL
SCHEMBL6973351 0.76 DRD2 (0.52) KMT2ALMNAMGLL
SCHEMBL6976781 0.74 ALDH1A1 (0.43) NPC1RAB9AKMT2ALMNA
SCHEMBL6979916 0.74 ALDH1A1 (0.43) KMT2ALMNA

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
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed