SCHEMBL7468833

SCHEMBL7468833

Cc1cc2c(cc1Cl)C(Br)(c1ccccc1Cl)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.42
KMT2A Q03164 3/20 0.36
GHSR Q92847 4/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.33
ADCY8 P40145 1/20 0.33
HTR6 P50406 1/20 0.33
GRIN2D O15399 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
SCHEMBL5678933 0.94 KMT2A (0.39) AKR1B1KMT2AGHSRPDK2PDK4
SCHEMBL4590370 0.88 AKR1B1 (0.36) AKR1B1KMT2APDK2PDK4MEN1
SCHEMBL8588946 0.80 AKR1B1 (0.42) AKR1B1KMT2AGHSRPDK2PDK4
SCHEMBL5345525 0.79 AKR1C3 (0.47) AKR1B1KMT2APDK2PDK4MEN1
SCHEMBL7464554 0.79 GRIN1 (0.42) AKR1B1KMT2AGHSRPDK2PDK4
SCHEMBL7467458 0.77 CYP1A2 (0.44) AKR1B1KMT2APDK2PDK4MEN1
SCHEMBL7476921 0.75 PDK2 (0.37) AKR1B1PDK2PDK4MAPTLMNA
SCHEMBL5674398 0.74 KMT2A (0.39) AKR1B1KMT2AGHSRPDK2PDK4
SCHEMBL4589579 0.74 KMT2A (0.43) AKR1B1KMT2APDK2PDK4MEN1
SCHEMBL7468698 0.73 HTR6 (0.41) AKR1B1GHSRMAPTLMNAHTR6

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