SCHEMBL8856529

SCHEMBL8856529

COc1ccc2c(=O)/c(=N\Nc3cccc(F)c3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ATM Q13315 1/20 0.43
DEPTOR Q8TB45 1/20 0.42
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
CLK1 P49759 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8856505 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8856799 0.83 SENP6 (0.48) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8856796 0.83 SENP6 (0.48) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8856756 0.82 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8856666 0.74 SENP6 (0.61) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL9004632 0.72 SENP6 (0.55) SMN1; SMN2MAPTMEN1KMT2ASENP6
SCHEMBL9004630 0.72 SENP6 (0.55) SMN1; SMN2MAPTMEN1KMT2ASENP6
SCHEMBL8857002 0.71 LMNA (0.46) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL9004636 0.71 CYP1A2 (0.51) SMN1; SMN2MAPTMEN1KMT2ASENP6
SCHEMBL8856704 0.70 SENP6 (0.57) SMN1; SMN2MAPTKMT2AKDM4ESENP6

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