SCHEMBL7467458

SCHEMBL7467458

O=C1Nc2ccc(F)cc2C1(Br)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
AGTR1 P30556 1/20 0.39
AKR1B1 P15121 4/20 0.37
PGR P06401 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PLK4 O00444 2/20 0.36
AURKB Q96GD4 2/20 0.36
AKR1C3 P42330 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
SCHEMBL5345525 0.85 AKR1C3 (0.47) MAPTKMT2AMEN1CYP2C9AKR1B1
SCHEMBL4590370 0.82 AKR1B1 (0.36) MAPTKMT2AMEN1ALDH1A1AKR1B1
SCHEMBL7476094 0.78 CYP1A2 (0.43) CYP1A2MAPTCYP2C19KMT2AHTT
SCHEMBL7468833 0.77 AKR1B1 (0.42) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL5678933 0.77 KMT2A (0.39) MAPTKMT2ASMN1; SMN2MEN1AKR1B1
SCHEMBL4590046 0.77 MGAM (0.44) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4589675 0.75 PDE7A (0.37) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4590489 0.73 IDO1 (0.34) KMT2AAKR1B1PDK2AKR1C3AKR1A1
SCHEMBL30463281 0.73 CYP1A2 (0.56) CYP1A2MAPTCYP2C19KMT2AHTT
SCHEMBL29224118 0.73 CYP1A2 (0.56) CYP1A2MAPTCYP2C19KMT2AHTT

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 6 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-0681580-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES. PFIZER HOSPITAL PROD (US) 1995-11-15 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
WO-1994017061-A1 PRODRUGS OF ANTIINFLAMMATORY 3-ACYL-2-OXINDOLE-1-CARBOXAMIDES PFIZER INC. (US) 1994-08-04 WO disclosed