SCHEMBL7470112

SCHEMBL7470112

CCNC1(c2ccccc2Cl)C(=O)N(Cc2ccc(C(=O)NC(C)(CO)CO)cc2)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 5/20 0.38
SCN9A Q15858 3/20 0.38
MAPT P10636 4/20 0.37
HDAC8 Q9BY41 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7477811 0.93 HDAC1 (0.43) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL7466211 0.92 HDAC1 (0.45) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL7472348 0.86 TP53 (0.44) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL7469133 0.77 HDAC1 (0.49) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL7470885 0.77 HDAC1 (0.46) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL8589807 0.73 ALDH1A1 (0.38) ALDH1A1TP53SCN9AMAPTSMN1; SMN2
SCHEMBL7471458 0.71 OXTR (0.42) TP53SCN9AMAPTPTGDR2SMN1; SMN2
SCHEMBL7476645 0.70 MAPT (0.42) TP53SCN9AMAPTHDAC8PTGDR2
SCHEMBL7463750 0.70 HDAC1 (0.45) HDAC1HDAC6ALDH1A1TP53SCN9A
SCHEMBL7462162 0.70 MAPT (0.39) TP53SCN9AMAPTPTGDR2SMN1; 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 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