SCHEMBL9219145

SCHEMBL9219145

COc1ccc(S(=O)(=O)c2c(Cl)ccc3c2C(N)(c2ccccc2Cl)C(=O)N3)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
MDM2 Q00987 2/20 0.34
KMT2A Q03164 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CYP19A1 P11511 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL Q9Y232 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TOP1 P11387 1/20 0.32

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
SCHEMBL9215306 0.89 HTR6 (0.39) PGRMDM2KMT2ACA1CA2
SCHEMBL9215943 0.89 AVPR1B (0.35) KMT2ACBX7CDYLALDH1A1GAA
SCHEMBL9283967 0.86 RELA (0.38) PGRKMT2AALDH1A1GAAPKM
SCHEMBL9217225 0.85 GAA (0.36) PGRKMT2ACYP19A1CBX7CDYL
SCHEMBL9222426 0.81 OXTR (0.36) KMT2ACA1CA2CBX7CDYL
SCHEMBL9218505 0.81 PGR (0.31) PGRKMT2ACYP19A1CBX7CDYL
SCHEMBL9220685 0.81 KMT2A (0.42) KMT2AALDH1A1HTR6
SCHEMBL9217994 0.81 POLB (0.39) PGRKMT2ACYP19A1CBX7CDYL
SCHEMBL9211620 0.79 RAPGEF3 (0.34) KMT2ACBX7CDYLALDH1A1GAA
SCHEMBL6602895 0.79 AVPR1B (0.35) MDM2KMT2ACYP19A1GAAPKM

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