SCHEMBL9004636

SCHEMBL9004636

COc1ccc2c(=O)c(=NNC(=S)Nc3ccccc3)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
SENP6 Q9GZR1 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
GAA P10253 4/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9004632 0.87 SENP6 (0.55) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL9004630 0.87 SENP6 (0.55) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL9004676 0.83 ALDH1A1 (0.55) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL9004623 0.83 KMT2A (0.47) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL9004603 0.80 SENP6 (0.51) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL8856659 0.79 SENP6 (0.76) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL8856663 0.79 SENP6 (0.76) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL8856707 0.77 SENP6 (0.57) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL8856704 0.77 SENP6 (0.57) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A
SCHEMBL9004649 0.76 SENP6 (0.56) CYP1A2CYP2C19SENP6SMN1; SMN2KMT2A

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