SCHEMBL6972446

SCHEMBL6972446

COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc(OCc5ccccc5)c(OCc5ccccc5)c4)CC3)nc(N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
TRPC6 Q9Y210 3/20 0.47
YAP1 P46937 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HSD11B1 P28845 1/20 0.43
HTT P42858 1/20 0.43
MAPK7 Q13164 2/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
CSF1R P07333 1/20 0.42
HPGD P15428 1/20 0.42

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 0.87 HSD11B1 (0.51) RAB9AALDH1A1LMNAHSD11B1HPGD
SCHEMBL6976438 0.83 NPC1 (0.45) TRPC6NPC1RAB9ALMNAHSD11B1
SCHEMBL6979916 0.82 ALDH1A1 (0.43) HSD17B10YAP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7123772 0.80 SMN1; SMN2 (0.51) HSD17B10NPC1RAB9AALDH1A1TP53
SCHEMBL6981142 0.79 GLA (0.55)
SCHEMBL6981137 0.78 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL6972466 0.78 ALDH1A1 (0.44) TRPC6RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL12381384 0.74 L3MBTL1 (0.56) HSD17B10NPC1RAB9AALDH1A1TP53
SCHEMBL6974760 0.74 MAP3K12 (0.55) RAB9AALDH1A1SMN1; SMN2LMNAHSD11B1
SCHEMBL9356201 0.73 HPGD (0.62) HSD17B10NPC1RAB9AALDH1A1TP53

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