SCHEMBL9212184

SCHEMBL9212184

CCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NCC2CCNCC2)c2ccccc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
CHRM1 P11229 5/20 0.32
NAMPT P43490 4/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
F10 P00742 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9211583 0.93 NPSR1 (0.34) NPSR1GAACHRM1NAMPTCA12
SCHEMBL9218026 0.91 NPSR1 (0.39) NPSR1GAANAMPTCA12CA1
SCHEMBL9219229 0.86 NPSR1 (0.43) NPSR1GAANAMPTCA12CA1
SCHEMBL9217130 0.83 NPSR1 (0.37) NPSR1GAANAMPTCA12CA1
SCHEMBL9215385 0.83 NPSR1 (0.37) NPSR1GAANAMPTCA12CA1
SCHEMBL9216284 0.83 NPSR1 (0.36) NPSR1GAANAMPTCA12CA1
SCHEMBL9217581 0.83 NPSR1 (0.36) NPSR1GAANAMPTCA12CA1
SCHEMBL9218065 0.83 POLB (0.35) MAPTTP53
SCHEMBL9219701 0.82 NPSR1 (0.38) NPSR1GAANAMPTCA12CA1
SCHEMBL9215077 0.81 NPSR1 (0.41) NPSR1GAANAMPTCA12CA1

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-1995006048-A1 (3-PYRIDYL)TETRAFURAN-2-YL SUBSTITUTED CARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1995-03-02 WO disclosed