SCHEMBL335308

SCHEMBL335308

COc1ccc2cc(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
KDR P35968 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
SLC2A1 P11166 1/20 0.40
ITK Q08881 1/20 0.40
PRMT5 O14744 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 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
SCHEMBL336071 0.94 PYGL (0.45) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL336047 0.90 POLB (0.43) MEN1KMT2ARXFP1POLBEGFR
SCHEMBL335500 0.89 F9 (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL335351 0.88 EGFR (0.50) NPC1RAB9AHDAC3HDAC1LMNA
SCHEMBL334843 0.88 KDR (0.45) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL336155 0.84 TAS1R3 (0.45) NPC1RAB9AKDRRXFP1
SCHEMBL335551 0.82 KDM4E (0.43) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL335582 0.82 TNIK (0.42) KMT2ANPC1RAB9AL3MBTL1POLB
SCHEMBL336586 0.82 GRIN1 (0.44) KDR
SCHEMBL335390 0.81 ABL1 (0.44) MEN1KMT2ANPC1RAB9AL3MBTL1

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