SCHEMBL9004644

SCHEMBL9004644

COc1cc2c(=O)c(=NNC(=O)Nc3ccccc3)c(=O)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49
KDR P35968 4/20 0.47
XBP1 P17861 1/20 0.47
PDGFRA P16234 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
Water SCHEMBL9038240 0.99 KMT2A (0.49) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9004632 0.86 SENP6 (0.55) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL9004630 0.86 SENP6 (0.55) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL9004785 0.85 KMT2A (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL8667830 0.83 SENP6 (0.61) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9004613 0.80 SENP6 (0.67) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9004617 0.80 TRPV1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9004669 0.80 TRPV1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9004721 0.80 SENP6 (0.60) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL9004684 0.79 SENP6 (0.62) KMT2AALDH1A1MEN1MAPTKDM4E

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