SCHEMBL9004666

SCHEMBL9004666

Cc1cccc(NC(=O)NN=c2c(=O)c3ccccc3c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 1/20 0.49
MAOB P27338 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MAPT P10636 4/20 0.48
CASP3 P42574 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SENP8 Q96LD8 2/20 0.48
APAF1 O14727 1/20 0.48
TDP2 O95551 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 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
Water SCHEMBL9571731 0.99 KMT2A (0.51) KMT2ASMN1; SMN2PKMNPC1RAB9A
SCHEMBL9004678 0.85 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL8667830 0.84 SENP6 (0.61) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL9004754 0.84 STING1 (0.50) KMT2ASMN1; SMN2MAOBMAPTCASP3
SCHEMBL9227877 0.84 DDX3X (0.58) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9004624 0.84 RAB9A (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAOB
SCHEMBL9004721 0.83 SENP6 (0.60) KMT2ASMN1; SMN2NPC1RAB9AHSD17B10
Water SCHEMBL9004837 0.82 SENP6 (0.58) KMT2ASMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL9004595 0.81 MAPT (0.60) KMT2ASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL9004712 0.80 HTT (0.49) KMT2ASMN1; SMN2NPC1RAB9AHSD17B10

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 3 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
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