SCHEMBL7472300

SCHEMBL7472300

O=C1Nc2ccc(Cl)cc2C1(O)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
IDO1 P14902 3/20 0.48
PDE7A Q13946 1/20 0.46
BRD2 P25440 2/20 0.44
BRD3 Q15059 2/20 0.44
BRDT Q58F21 2/20 0.44
PGR P06401 3/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
CHEK1 O14757 1/20 0.39
LIMK1 P53667 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
SCHEMBL3967711 0.89 BRD4 (0.47) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL3966441 0.87 BRD4 (0.46) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL7472923 0.81 PDE7A (0.47) BRD4MEN1KMT2APOLBIDO1
SCHEMBL7348224 0.80 MEN1 (0.48) BRD4MEN1KMT2APOLBIDO1
SCHEMBL18552508 0.79 IDO1 (0.61) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL18552511 0.79 IDO1 (0.61) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL24281038 0.77 IDO1 (0.63) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL7466189 0.77 IDO1 (0.58) BRD4MEN1KMT2APOLBCYP3A4
SCHEMBL7469889 0.77 BRD4 (0.47) BRD4MEN1KMT2APOLBIDO1
SCHEMBL13809831 0.77 MAP3K14 (0.43) MEN1KMT2ACYP2C19PDE7A

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