SCHEMBL7470580

SCHEMBL7470580

NC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.48
SCN9A Q15858 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
C5AR1 P21730 1/20 0.45

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
SCHEMBL7465855 0.85 SMN1; SMN2 (0.41) PTGDR2SCN9ATP53MAPT
SCHEMBL7469133 0.85 HDAC1 (0.49) PTGDR2SCN9AHDAC1HDAC6TP53
SCHEMBL7465042 0.84 PTGDR2 (0.51) PTGDR2SCN9ATP53MAPTC5AR1
SCHEMBL7460259 0.83 SCN9A (0.46) PTGDR2SCN9AHDAC1HDAC6TP53
SCHEMBL7472348 0.81 TP53 (0.44) PTGDR2SCN9AHDAC1HDAC6TP53
SCHEMBL8742795 0.77 PTGDR2 (0.48) PTGDR2SCN9AHDAC1HDAC6TP53
SCHEMBL7476150 0.74 PTGDR2 (0.45) PTGDR2SCN9AHDAC1HDAC6TP53
SCHEMBL7465337 0.73 MAPT (0.39) SCN9AHDAC1HDAC6TP53MAPT
SCHEMBL8588887 0.73 MEN1 (0.42) PTGDR2MAPT
Water SCHEMBL8593336 0.73 MAPT (0.39) SCN9AHDAC1HDAC6TP53MAPT

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 2 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