SCHEMBL9004754

SCHEMBL9004754

O=C(NN=c1c(=O)c2ccccc2c1=O)Nc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.50
MAOB P27338 2/20 0.48
CASP3 P42574 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
MAPT P10636 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
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDGFRB P09619 2/20 0.46
KIT P10721 2/20 0.46
FLT1 P17948 2/20 0.46

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
SCHEMBL9004690 0.85 KMT2A (0.56) STING1MAOBCASP3ALDH1A1KMT2A
SCHEMBL9004705 0.85 MAOB (0.54) STING1MAOBCASP3ALDH1A1KMT2A
SCHEMBL8667830 0.84 SENP6 (0.61) MAOBCASP3ALDH1A1KMT2ASENP8
SCHEMBL9227877 0.84 DDX3X (0.58) CASP3ALDH1A1KMT2ASENP8SENP7
SCHEMBL9004666 0.84 KMT2A (0.52) MAOBCASP3ALDH1A1KMT2ASENP8
SCHEMBL9004624 0.84 RAB9A (0.50) MAOBCASP3ALDH1A1KMT2ASENP8
Water SCHEMBL9571731 0.83 KMT2A (0.51) MAOBCASP3ALDH1A1KMT2ASENP8
SCHEMBL9004721 0.81 SENP6 (0.60) CASP3ALDH1A1KMT2ASENP6MAPT
SCHEMBL9004595 0.81 MAPT (0.60) ALDH1A1KMT2AMAPTSMN1; SMN2KDR
Water SCHEMBL9004837 0.80 SENP6 (0.58) CASP3ALDH1A1KMT2ASENP6MAPT

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