SCHEMBL9004612

SCHEMBL9004612

CNC(=S)NN=c1c(=O)c2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
SENP6 Q9GZR1 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
APAF1 O14727 1/20 0.54
TDP2 O95551 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 5/20 0.47
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 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
SCHEMBL9004661 0.82 MAPT (0.56) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004676 0.80 ALDH1A1 (0.55) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004715 0.75 MAPT (0.53) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004604 0.75 ALDH1A1 (0.49) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004665 0.75 ALDH1A1 (0.52) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL8856519 0.74 SENP6 (0.61) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004597 0.73 MAPT (0.64) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL9004690 0.72 KMT2A (0.56) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL8856667 0.71 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1
SCHEMBL8856654 0.70 ALDH1A1 (1.00) MAPTKMT2ASMN1; SMN2SENP6ALDH1A1

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