SCHEMBL9004780

SCHEMBL9004780

COc1cc2c(=O)c(=NNC(N)=O)c(=O)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP6 Q9GZR1 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
POLB P06746 2/20 0.36
CYP3A4 P08684 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
Water SCHEMBL9036285 0.98 SENP6 (0.43) SENP6NPSR1KDM4EGAAALDH1A1
SCHEMBL9004649 0.82 SENP6 (0.56) SENP6NPSR1KDM4EGAAALDH1A1
SCHEMBL9004643 0.82 SENP6 (0.56) SENP6NPSR1KDM4EGAAALDH1A1
SCHEMBL9004644 0.76 KMT2A (0.50) SENP6NPSR1KDM4EALDH1A1KMT2A
Water SCHEMBL9038240 0.75 KMT2A (0.49) SENP6NPSR1KDM4EALDH1A1KMT2A
SCHEMBL9004602 0.74 MAPT (0.45) SENP6KDM4EGAAALDH1A1KMT2A
SCHEMBL9004600 0.74 MAPT (0.45) SENP6KDM4EGAAALDH1A1KMT2A
SCHEMBL9004597 0.74 MAPT (0.64) SENP6KDM4EGAAALDH1A1KMT2A
SCHEMBL8856720 0.73 SENP6 (0.70) SENP6KDM4EGAAALDH1A1KMT2A
SCHEMBL9004785 0.71 KMT2A (0.52) SENP6KDM4EGAAALDH1A1KMT2A

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
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
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