SCHEMBL6818947

SCHEMBL6818947

CS(=O)(=O)Nc1ccc2noc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.42
LRRK2 Q5S007 4/20 0.39
CSF1R P07333 1/20 0.38
TNIK Q9UKE5 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 3/20 0.35
MCL1 Q07820 2/20 0.35
NR3C1 P04150 2/20 0.34
NR3C2 P08235 2/20 0.34
AR P10275 1/20 0.34
GPR27 Q9NS67 2/20 0.34
ATIC P31939 1/20 0.34
AVPR2 P30518 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL6818701 0.93 ALB (0.42) ALBLRRK2CSF1RTNIKMEN1
SCHEMBL6814368 0.88 GPR27 (0.46) ALBMEN1KMT2AMCL1GPR27
SCHEMBL6815109 0.87 ALB (0.40) ALBMCL1GPR27AVPR2
SCHEMBL6834064 0.85 ALB (0.42) ALBLRRK2CSF1RTNIKPGR
SCHEMBL6818082 0.84 F2 (0.50) ALBLRRK2MEN1KMT2A
SCHEMBL6819451 0.84 ALB (0.45) ALBLRRK2
SCHEMBL6833193 0.83 ALB (0.42) ALBCSF1RTNIKPGRMCL1
SCHEMBL6814176 0.83 ALB (0.47) ALBLRRK2GPR27AVPR2F10
SCHEMBL6822703 0.83 ALB (0.48) ALBGPR27AVPR2F10
SCHEMBL6818466 0.83 KDM4C (0.43) ALBLRRK2

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed