SCHEMBL7465855

SCHEMBL7465855

CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 7/20 0.41
TP53 P04637 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
SCN9A Q15858 2/20 0.40
ENPP2 Q13822 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
PTPN1 P18031 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7465337 0.88 MAPT (0.39) SMN1; SMN2MAPTTP53SCN9ATHRB
Water SCHEMBL8593338 0.87 MAPT (0.39) SMN1; SMN2MAPTTP53SCN9ATHRB
SCHEMBL7470580 0.85 PTGDR2 (0.48) MAPTTP53PTGDR2SCN9A
SCHEMBL7469987 0.83 MAPT (0.36) SMN1; SMN2MAPTTP53SCN9ATHRB
SCHEMBL8590832 0.78 KMT2A (0.39) SMN1; SMN2MAPTTHRB
SCHEMBL8590834 0.75 LMNA (0.32) MAPTTP53PTGDR2THRB
SCHEMBL8591950 0.75 MAPT (0.38) SMN1; SMN2MAPTTP53
SCHEMBL7465042 0.75 PTGDR2 (0.51) SMN1; SMN2MAPTTP53PTGDR2SCN9A
SCHEMBL7469133 0.74 HDAC1 (0.49) MAPTTP53PTGDR2SCN9A
SCHEMBL8591952 0.73 KMT2A (0.37) SMN1; SMN2MAPTTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US disclosed
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
WO-1995018105-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) 1995-07-06 WO disclosed