SCHEMBL9004684

SCHEMBL9004684

COc1cc(NC(=O)NN=c2c(=O)c3ccccc3c2=O)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP6 Q9GZR1 3/20 0.62
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
APAF1 O14727 1/20 0.50
TDP2 O95551 1/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 3/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9004721 0.90 SENP6 (0.60) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
Water SCHEMBL9004837 0.89 SENP6 (0.58) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL9004613 0.88 SENP6 (0.67) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL9004632 0.84 SENP6 (0.55) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL9004630 0.84 SENP6 (0.55) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL9004785 0.82 KMT2A (0.52) SENP6KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9004641 0.82 SENP6 (0.56) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL9004762 0.80 MEN1 (0.60) SENP6KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9004683 0.80 SENP6 (0.56) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3
SCHEMBL8667830 0.80 SENP6 (0.61) SENP6KMT2ASMN1; SMN2ALDH1A1CASP3

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
US-5571843-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1996-11-05 US disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed