SCHEMBL7471179

SCHEMBL7471179

NC1(c2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
HTR6 P50406 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1B1 P15121 1/20 0.36
PDE7A Q13946 1/20 0.36
GHSR Q92847 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL121113 0.87 GHSR (0.43) BRD4BRD2BRD3BRDTHTR6
SCHEMBL7467265 0.83 BRD4 (0.52) BRD4BRD2BRD3BRDTHTR6
SCHEMBL123532 0.81 KCNQ3 (0.39) BRD4BRD2BRD3BRDTAKR1B1
SCHEMBL7468698 0.81 HTR6 (0.41) HTR6LMNAMAPTKDM4EALDH1A1
SCHEMBL7466394 0.74 MAPT (0.41) BRD4BRD2BRD3BRDTHTR6
SCHEMBL5674398 0.73 KMT2A (0.39) BRD4BRD2BRD3BRDTLMNA
SCHEMBL8588946 0.73 AKR1B1 (0.42) BRD4BRD2BRD3BRDTHTR6
SCHEMBL28806429 0.70 AKR1B1 (0.38) AKR1B1PDE7AGHSRPKM
SCHEMBL7340621 0.69 MMP9 (0.57) LMNAMAPTALDH1A1AKR1B1BACE1
SCHEMBL7470907 0.69 AKR1C3 (0.47) BRD4BRD2BRD3BRDTHTR6

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