SCHEMBL9220685

SCHEMBL9220685

COc1ccc(S(=O)(=O)c2c(Cl)ccc3c2C(c2ccccc2Cl)(N2CCNCC2)C(=O)N3)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
AVPR1B P47901 10/20 0.39
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKB Q96GD4 1/20 0.34
HTR6 P50406 1/20 0.33
BRD4 O60885 1/20 0.33
HTR2C P28335 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 0.81 PGR (0.36) KMT2AALDH1A1HTR6
SCHEMBL9217225 0.78 GAA (0.36) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9222426 0.76 OXTR (0.36) KMT2AAVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL9217994 0.75 POLB (0.39) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7471578 0.75 AVPR1B (0.66) AVPR1B
SCHEMBL9215306 0.74 HTR6 (0.39) KMT2AALDH1A1LMNASMN1; SMN2HTR6
SCHEMBL9211620 0.74 RAPGEF3 (0.34) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9218505 0.74 PGR (0.31) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9215505 0.71 GAA (0.38) KMT2AHTR6
SCHEMBL9215943 0.71 AVPR1B (0.35) KMT2AAVPR1BALDH1A1LMNASMN1; SMN2

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