SCHEMBL4241091

SCHEMBL4241091

N=C(NOC(=O)C(F)(F)F)NC(=O)c1cn(-c2ccnc3cc(Cl)ccc23)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 8/20 0.42
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDGFRB P09619 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
IDE P14735 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4241090 0.86 NTSR1 (0.43) NTSR1KDM4EMAPTNPSR1PDGFRB
SCHEMBL4240982 0.86 ROCK1 (0.34) NTSR1KMT2A
SCHEMBL4244642 0.85 NTSR1 (0.43) NTSR1MAPTMAPK1MEN1KMT2A
SCHEMBL4247339 0.82 MALT1 (0.35) KDM4EMAPTNPSR1KMT2A
SCHEMBL4243183 0.79 PIK3R2 (0.37) KDM4EMEN1KMT2A
SCHEMBL4242771 0.79 MALT1 (0.34) KDM4E
SCHEMBL4244710 0.78 NTSR1 (0.39) NTSR1MAPTMAPK1MEN1KMT2A
SCHEMBL4241610 0.78 ROCK1 (0.39) NTSR1PDGFRB
SCHEMBL4247324 0.77 ADRB2 (0.42) KDM4EMAPTNPSR1PDGFRB
Hydrochloric Acid SCHEMBL4236201 0.77 ADRB2 (0.41) KDM4EMAPTNPSR1PDGFRB

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-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed