SCHEMBL7470880

SCHEMBL7470880

Cc1ccc2c(c1)C(Cl)(c1ccccc1Cl)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
ADAMTS5 Q9UNA0 3/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
BRD4 O60885 1/20 0.42
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
AKR1B1 P15121 1/20 0.39
ROS1 P08922 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL5430507 0.85 AKR1C3 (0.48) GAAMGAMSIMGAM2MAPT
SCHEMBL4589579 0.84 KMT2A (0.43) POLBMAPTALDH1A1LMNABRD4
SCHEMBL7467060 0.82 PGR (0.44) ADAMTS5ALDH1A1KDM4EAKR1B1PGR
SCHEMBL5357970 0.82 KMT2A (0.51) CYP1A2POLBCYP3A4CYP2C19GAA
SCHEMBL7467300 0.81 GAA (0.56) CYP1A2POLBCYP3A4CYP2C19GAA
SCHEMBL7461925 0.80 ADAMTS5 (0.44) CYP1A2POLBCYP3A4CYP2C19GAA
SCHEMBL7460367 0.79 MAOB (0.48) CYP1A2POLBCYP3A4CYP2C19MAPT
SCHEMBL7463779 0.77 IDO1 (0.46) POLBGAAMGAMSIMGAM2
SCHEMBL4589651 0.76 MAPT (0.48) MAPTKDM4EALOX12PDK2PDK4
SCHEMBL5675752 0.75 BRD4 (0.47) CYP1A2POLBCYP3A4CYP2C19GAA

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