SCHEMBL8856540

SCHEMBL8856540

NN(C(=O)c1ccccc1)C1(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HTT P42858 4/20 0.47
APAF1 O14727 3/20 0.47
TDP2 O95551 3/20 0.47
NSD2 O96028 3/20 0.47
BLM P54132 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ABL1 P00519 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CASP3 P42574 1/20 0.47
GALK1 P51570 1/20 0.47
PPP1CA P62136 1/20 0.47
RIN1 Q13671 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL8856687 0.89 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1HTTAPAF1
SCHEMBL8856518 0.87 MAPT (0.46) MAPTALDH1A1L3MBTL1HTTAPAF1
SCHEMBL8856924 0.85 PARP1 (0.44) MAPTALDH1A1L3MBTL1HTTAPAF1
SCHEMBL8856498 0.84 HPGD (0.47) MAPTALDH1A1L3MBTL1HTTAPAF1
SCHEMBL8856483 0.84 NPC1 (0.50) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL8856719 0.82 CA1 (0.54) MAPTALDH1A1HTTKMT2AKDM4E
SCHEMBL8856834 0.80 PARP1 (0.49) MAPTALDH1A1L3MBTL1HTTKMT2A
SCHEMBL8856703 0.77 HCRTR1 (0.46) MAPTALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL8856566 0.75 CYP1A2 (0.50) MAPTALDH1A1L3MBTL1HTTBLM
SCHEMBL8857001 0.74 KMT2A (0.47) MAPTALDH1A1L3MBTL1HTTAPAF1

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