SCHEMBL9218931

SCHEMBL9218931

CCOc1cc2c(c(S(=O)(=O)c3ccc(NC(=O)N(CC)CC)cc3)c1)NC(=O)C2(NC(C)=O)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 4/20 0.34
TP53 P04637 3/20 0.34
NAMPT P43490 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL9219360 0.87 NPSR1 (0.37) NPSR1GAAMAPTTP53NAMPT
SCHEMBL9219229 0.85 NPSR1 (0.43) NPSR1GAAMAPTNAMPTCA12
SCHEMBL9218094 0.84 MAPT (0.35) NPSR1GAAMAPTTP53RXFP1
SCHEMBL9209710 0.83 NPSR1 (0.39) NPSR1GAAMAPTNAMPTRXFP1
SCHEMBL9215077 0.81 NPSR1 (0.41) NPSR1GAAMAPTNAMPTALDH1A1
SCHEMBL9222097 0.81 NPSR1 (0.34) NPSR1GAAMAPTTP53POLB
SCHEMBL9215473 0.79 NPSR1 (0.38) NPSR1GAAMAPTNAMPTALDH1A1
SCHEMBL9218048 0.79 ABCC9 (0.39) NPSR1GAAMAPTNAMPTALDH1A1
SCHEMBL9219701 0.79 NPSR1 (0.38) NPSR1GAANAMPTCA12CA1
SCHEMBL9218026 0.79 NPSR1 (0.39) NPSR1GAAMAPTNAMPTCA12

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
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed