SCHEMBL6915940

SCHEMBL6915940

O=C(O)Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
POLB P06746 2/20 0.61
DUSP1 P28562 3/20 0.61
HPSE Q9Y251 6/20 0.60
RXFP1 Q9HBX9 1/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 1/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
THRB P10828 1/20 0.56
P2RY14 Q15391 1/20 0.56

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
Methane SCHEMBL6821818 0.99 MAPT (0.61) MAPTPOLBDUSP1HPSERXFP1
SCHEMBL20515146 0.86 HPSE (0.77) MAPTHPSETP53NPC1USP2
SCHEMBL6821021 0.81 HPSE (0.65) MAPTPOLBHPSETP53USP2
SCHEMBL4055488 0.79 MAPT (0.77) MAPTPOLBDUSP1RXFP1TP53
SCHEMBL6821031 0.78 DUSP1 (0.59) MAPTPOLBDUSP1RXFP1TP53
SCHEMBL507169 0.77 KDM4E (0.77) POLBHPSENPC1MAPK1RAB9A
SCHEMBL19410571 0.77 MAPT (0.80) MAPTPOLBHPSERXFP1TP53
SCHEMBL28384392 0.77 P2RY14 (0.83) MAPTPOLBDUSP1RXFP1USP2
SCHEMBL30153371 0.77 P2RY14 (0.83) MAPTPOLBDUSP1RXFP1USP2
SCHEMBL6821359 0.75 HPSE (1.00) HPSE

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed