SCHEMBL5039062

SCHEMBL5039062

COc1ccc2[nH]c(Nc3ccc(OC)nc3Oc3ccccc3C(C)(C)C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
P2RY1 P47900 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR1 Q92633 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
PTPN11 Q06124 1/20 0.34
TEK Q02763 1/20 0.34

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
SCHEMBL6481602 0.92 RAB9A (0.45) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5048567 0.90 NPC1 (0.44) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5048341 0.90 NPC1 (0.43) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5039007 0.88 NPC1 (0.42) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5039260 0.87 LMNA (0.42) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5039245 0.86 NPC1 (0.42) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5047148 0.86 NPC1 (0.42) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5436637 0.86 CSNK1D (0.43) RAB9ANPC1MAPTTP53LMNA
SCHEMBL1306719 0.85 CSNK1D (0.47) RAB9ANPC1MAPTTP53LMNA
SCHEMBL5043962 0.85 RAB9A (0.44) RAB9ANPC1MAPTTP53LMNA

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-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed