SCHEMBL7478155

SCHEMBL7478155

NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
AVPR1B P47901 2/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 3/20 0.36
AKR1B1 P15121 2/20 0.36
MMP2 P08253 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
MDM2 Q00987 1/20 0.35

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
SCHEMBL7471223 0.84 AVPR1B (0.45) AVPR1BALDH1A1SMN1; SMN2
SCHEMBL7466135 0.83 PARL (0.38) PARLCTSGCMA1AVPR1BPOLB
SCHEMBL7477193 0.79 AVPR1B (0.45) AVPR1BALDH1A1SMN1; SMN2
SCHEMBL7468569 0.76 FLT1 (0.35) AVPR1BL3MBTL1FAAHFLT1FLT4
SCHEMBL5677707 0.73 AVPR1B (0.57) AVPR1B
SCHEMBL7467489 0.71 AVPR1B (0.39) CTSGCMA1AVPR1BPOLBL3MBTL1
SCHEMBL7471384 0.68 AVPR1B (0.44) AVPR1BALDH1A1SMN1; SMN2
SCHEMBL7470158 0.67 GFER (0.48) ALDH1A1SMN1; SMN2MDM2
SCHEMBL16857964 0.67 AVPR1B (0.40) AVPR1BSMN1; SMN2
SCHEMBL15748455 0.66 LMNA (0.46) PARLCTSGCMA1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
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
WO-1995018105-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) 1995-07-06 WO disclosed