SCHEMBL9004669

SCHEMBL9004669

O=C(N/N=c1\c(=O)c2ccc(O)cc2c1=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
TP53 P04637 3/20 0.42
CDK9 P50750 2/20 0.42

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
SCHEMBL9004617 1.00 TRPV1 (0.48) TRPV1CASP3SENP8SENP7SENP6
SCHEMBL8667830 0.87 SENP6 (0.61) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL8664300 0.85 SMN1; SMN2 (0.50) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL9004623 0.85 KMT2A (0.47) TRPV1CASP3SENP8SENP7SENP6
SCHEMBL9004630 0.82 SENP6 (0.55) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL9004632 0.82 SENP6 (0.55) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL8665352 0.81 KMT2A (0.53) CASP3SENP8SENP7SENP6SMN1; SMN2
SCHEMBL9004619 0.81 MAPT (0.45) TRPV1CASP3SENP8SENP7SENP6
SCHEMBL9004644 0.80 KMT2A (0.50) CASP3SENP8SENP7SENP6SMN1; SMN2
Water SCHEMBL9038240 0.79 KMT2A (0.49) CASP3SENP8SENP7SENP6SMN1; 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
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