SCHEMBL8856498

SCHEMBL8856498

Cc1cccc(C(=O)N(N)C2(O)C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.44
TDP2 O95551 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 3/20 0.39
APAF1 O14727 2/20 0.39
NSD2 O96028 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL8856924 0.84 PARP1 (0.44) PARP1KMT2AMEN1TDP2MAPT
SCHEMBL8856518 0.84 MAPT (0.46) TDP1KMT2AMEN1TDP2MAPT
SCHEMBL8856540 0.84 MAPT (0.47) TDP1PARP1KMT2AMEN1TDP2
SCHEMBL8856834 0.83 PARP1 (0.49) TDP1PARP1KMT2AMEN1MAPT
SCHEMBL8856703 0.77 HCRTR1 (0.46) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL8856687 0.77 ALDH1A1 (0.40) HPGDTDP1KMT2AMEN1TDP2
SCHEMBL8856706 0.76 KMT2A (0.44) HPGDTDP1PARP1KMT2AMEN1
SCHEMBL8856566 0.76 CYP1A2 (0.50) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL8856578 0.76 CA1 (0.52) TDP1PARP1KMT2AMEN1MAPT
SCHEMBL8856483 0.75 NPC1 (0.50) HPGDTDP1PARP1KMT2AMEN1

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-5648381-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1997-07-15 US disclosed
EP-0566446-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-0566446-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-1993020046-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR PREPARATION OF SAME AND THEIR USE AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed