SCHEMBL9212224

SCHEMBL9212224

CCN(CC)C(=O)N(C)c1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(c2ccccc2Cl)N(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACLY P53396 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TYMS P04818 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
SCHEMBL9219789 0.85 NPSR1 (0.41) GAAMAPT
SCHEMBL9219229 0.75 NPSR1 (0.43) GAAMAPT
SCHEMBL7467083 0.74 AVPR1B (0.35) HCRTR2LMNAMAPTMAPK1
SCHEMBL9212742 0.73 NPSR1 (0.41) GAAMAPT
SCHEMBL9218048 0.72 ABCC9 (0.39) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL9215077 0.71 NPSR1 (0.41) MEN1GAAMAPTKMT2AATM
SCHEMBL9217581 0.70 NPSR1 (0.36) GAAMAPT
SCHEMBL9215385 0.69 NPSR1 (0.37) GAAMAPT
SCHEMBL9218026 0.69 NPSR1 (0.39) GAAMAPT
SCHEMBL9217130 0.69 NPSR1 (0.37) MEN1GAAMAPTKMT2AALDH1A1

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