SCHEMBL9219472

SCHEMBL9219472

CNC1(c2ccccc2Cl)C(=O)Nc2c1cc(Cl)cc2S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
CNR2 P34972 2/20 0.33
HSD11B1 P28845 4/20 0.33
HTR6 P50406 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PRMT1 Q99873 2/20 0.32
SLC6A4 P31645 2/20 0.31
OPRK1 P41145 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
GRIN2B Q13224 1/20 0.31
CACNA1C Q13936 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL7467065 0.76 GRIN1 (0.40) KMT2AGRIN1GRIN2AHTR6SLC6A4
SCHEMBL9218306 0.75 ACLY (0.33) KMT2A
SCHEMBL9219229 0.74 NPSR1 (0.43) MAPT
SCHEMBL9217252 0.72 HTT (0.35) ALDH1A1LMNAMAPT
SCHEMBL9215385 0.71 NPSR1 (0.37) MAPT
SCHEMBL9212844 0.71 THRB (0.33) MEN1KMT2ACNR2ALDH1A1LMNA
SCHEMBL9217130 0.71 NPSR1 (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL7466055 0.70 AKR1C3 (0.45) MEN1KMT2AGRIN1GRIN2AHTR6
SCHEMBL9215077 0.70 NPSR1 (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL7467489 0.69 AVPR1B (0.39) MEN1KMT2AHTR6MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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