SCHEMBL336071

SCHEMBL336071

COc1ccc2[nH]c(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.45
PLCG2 P16885 1/20 0.45
KDM4E B2RXH2 7/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
PRNP P04156 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 5/20 0.44
APP P05067 1/20 0.44
ACHE P22303 1/20 0.44
KMT2A Q03164 2/20 0.43
BCAT1 P54687 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL335308 0.94 MEN1 (0.44) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL336047 0.90 POLB (0.43) PYGLACHEKMT2AMEN1
SCHEMBL335500 0.89 F9 (0.44) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL335351 0.88 EGFR (0.50) PYGLKDM4ENPC1RAB9AALDH1A1
SCHEMBL334843 0.88 KDR (0.45) NPC1RAB9AKMT2AMEN1HDAC1
SCHEMBL335551 0.87 KDM4E (0.43) PYGLKDM4ENPC1RAB9AMAPT
SCHEMBL336155 0.86 TAS1R3 (0.45) KDM4ENPC1RAB9AMAPTBCAT1
SCHEMBL335918 0.84 F9 (0.45) PYGLPLCG2KDM4ENPC1RAB9A
SCHEMBL335762 0.84 PYGL (0.44) PYGLPLCG2KDM4ENPC1RAB9A
SCHEMBL335582 0.82 TNIK (0.42) KDM4ENPC1RAB9AALDH1A1L3MBTL1

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