SCHEMBL9215306

SCHEMBL9215306

COc1ccc(S(=O)(=O)c2c(Cl)ccc3c2C(N)(c2ccccc2)C(=O)N3)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
PGR P06401 1/20 0.34
MDM2 Q00987 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CSNK1D P48730 3/20 0.33
CSNK1A1 P48729 2/20 0.33
CSNK1E P49674 2/20 0.33
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
BACE1 P56817 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GMNN O75496 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
SCHEMBL9219145 0.89 PGR (0.36) HTR6CYP19A1KMT2AGAAMEN1
SCHEMBL9215505 0.83 GAA (0.38) HTR6MAPTCYP19A1KMT2AGAA
SCHEMBL9215943 0.79 AVPR1B (0.35) MAPTKMT2AGAAL3MBTL1ALDH1A1
SCHEMBL9217225 0.79 GAA (0.36) CYP19A1KMT2AGAAMEN1PGR
SCHEMBL9283967 0.76 RELA (0.38) MAPTKMT2AGAAMEN1PGR
SCHEMBL9217994 0.76 POLB (0.39) CYP19A1KMT2AGAAMEN1PGR
SCHEMBL9222426 0.75 OXTR (0.36) KMT2AGAAMEN1CA1CA2
SCHEMBL9218505 0.75 PGR (0.31) CYP19A1KMT2AGAAMEN1PGR
SCHEMBL9220685 0.74 KMT2A (0.42) HTR6KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9211620 0.73 RAPGEF3 (0.34) KMT2AGAAMEN1TP53L3MBTL1

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