SCHEMBL9004595

SCHEMBL9004595

O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.56
KDR P35968 3/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 1/20 0.52
GRIK1 P39086 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AURKB Q96GD4 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL9004724 0.87 EPHX2 (0.57) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL9004624 0.83 RAB9A (0.50) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL8667830 0.81 SENP6 (0.61) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9004754 0.81 STING1 (0.50) MAPTKMT2AMEN1ALDH1A1KDR
SCHEMBL9004666 0.81 KMT2A (0.52) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9227877 0.81 DDX3X (0.58) MAPTKMT2AMEN1HTTRAB9A
Water SCHEMBL9571731 0.80 KMT2A (0.51) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL5597699 0.78 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30101230 0.78 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL9004721 0.78 SENP6 (0.60) MAPTKMT2AMEN1HTTRAB9A

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