SCHEMBL335500

SCHEMBL335500

COc1ccc2cc(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.44
F7 P08709 2/20 0.44
F11 P03951 1/20 0.42
APLNR P35414 3/20 0.42
KDR P35968 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLAU P00749 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL334843 0.94 KDR (0.45) F9F7F11KDRNPC1
SCHEMBL335390 0.92 ABL1 (0.44) F9F7F11L3MBTL1NPC1
SCHEMBL336071 0.89 PYGL (0.45) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL335308 0.89 MEN1 (0.44) KDRL3MBTL1NPC1RAB9AMEN1
SCHEMBL336586 0.88 GRIN1 (0.44) F9F7KDRABL1FABP6
SCHEMBL335498 0.88 TAS1R3 (0.45) F9F7F11L3MBTL1NPC1
SCHEMBL335420 0.88 NPC1 (0.46) F9F7F11NPC1RAB9A
SCHEMBL336155 0.87 TAS1R3 (0.45) KDRNPC1RAB9ASMN1; SMN2
SCHEMBL335396 0.87 F7 (0.44) F9F7L3MBTL1NPC1RAB9A
SCHEMBL336367 0.86 MAPT (0.47) F9F7L3MBTL1NPC1RAB9A

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed