SCHEMBL9218306

SCHEMBL9218306

COc1cc(N)ccc1S(=O)(=O)c1cc(Cl)cc2c1NC(=O)C2(NC(C)=O)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
RRM1 P23921 2/20 0.33
RRM2B Q7LG56 2/20 0.33
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
GHSR Q92847 1/20 0.31
RAPGEF3 O95398 1/20 0.31
CPT1A P50416 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
FABP4 P15090 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9219603 0.93 ACLY (0.33) ACLYCHRM2CHRM1RRM1RRM2B
SCHEMBL9217252 0.89 HTT (0.35) ACLYGAAGHSRRAPGEF3
SCHEMBL9220670 0.86 ROCK2 (0.36) ACLYCPT1AROCK2ROCK1
SCHEMBL9222097 0.83 NPSR1 (0.34) ACLYGAAKMT2ARAB9ATDP1
SCHEMBL9221306 0.80 IDH1 (0.34) ACLYGAAKMT2AGHSRCPT1A
SCHEMBL9211589 0.79 MAPT (0.37) ACLYGAAKMT2AGHSRRAB9A
SCHEMBL9217235 0.78 NPSR1 (0.35) ACLYGAAKMT2ARAB9ATDP1
SCHEMBL9217189 0.77 ABCC9 (0.34) ACLYGAAKMT2ARAB9ATDP1
SCHEMBL7467205 0.76 AVPR1B (0.46)
SCHEMBL9219472 0.75 MEN1 (0.35) KMT2A

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