SCHEMBL6813623

SCHEMBL6813623

CC(=O)c1ccccc1-c1ccc2noc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.39
HTT P42858 1/20 0.38
ALB P02768 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GFER P55789 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
GRM1 Q13255 1/20 0.35
SERPINE1 P05121 2/20 0.35
CDK2 P24941 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
EPAS1 Q99814 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
SCHEMBL6817428 0.90 DPP9 (0.40) PRSS12HTTALBALDH1A1POLB
SCHEMBL6818903 0.90 PRSS12 (0.40) PRSS12HTTALBALDH1A1HPGD
SCHEMBL6819716 0.88 PRSS12 (0.47) PRSS12HTTALBALDH1A1POLB
SCHEMBL6817661 0.87 PRSS12 (0.40) PRSS12HTTALBALDH1A1POLB
SCHEMBL6834495 0.86 HIF1A (0.41) PRSS12HTTALBALDH1A1HPGD
SCHEMBL6817648 0.83 ABCG2 (0.42) PRSS12HTTALDH1A1POLBKMT2A
SCHEMBL6818221 0.83 ALB (0.44) PRSS12HTTALBTHRBKMT2A
SCHEMBL6818082 0.82 F2 (0.50) HTTALBKMT2AMEN1IP6K1
SCHEMBL6819451 0.81 ALB (0.45) PRSS12ALB
SCHEMBL7129786 0.80 ALB (0.42) PRSS12HTTALBALDH1A1GFER

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