SCHEMBL9004649

SCHEMBL9004649

COc1ccc2c(=O)c(=NNC(N)=O)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP6 Q9GZR1 4/20 0.56
MTNR1A P48039 3/20 0.42
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
CASP3 P42574 3/20 0.40
SENP8 Q96LD8 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL9004643 1.00 SENP6 (0.56) SENP6MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9004603 0.87 SENP6 (0.51) SENP6KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8856707 0.87 SENP6 (0.57) SENP6MTNR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8856704 0.87 SENP6 (0.57) SENP6MTNR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9004780 0.82 SENP6 (0.43) SENP6KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8856659 0.81 SENP6 (0.76) SENP6MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL8856663 0.81 SENP6 (0.76) SENP6MTNR1AMTNR1BALDH1A1SMN1; SMN2
Water SCHEMBL9036285 0.81 SENP6 (0.43) SENP6KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8856811 0.80 SENP6 (0.67) SENP6KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8856817 0.80 SENP6 (0.67) SENP6KDM4EALDH1A1SMN1; SMN2MAPT

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