SCHEMBL9004715

SCHEMBL9004715

O=c1c(=NNC(=S)Nc2ccc(Br)cc2)c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
EPHX1 P07099 2/20 0.47
KMT2A Q03164 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 6/20 0.46
RAB9A P51151 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
SCHEMBL9004676 0.88 ALDH1A1 (0.55) MAPTALDH1A1MAOAMAOBEPHX1
SCHEMBL9004665 0.86 ALDH1A1 (0.52) MAPTALDH1A1MAOBKMT2ASMN1; SMN2
SCHEMBL9004690 0.85 KMT2A (0.56) MAPTALDH1A1MAOBKMT2ASMN1; SMN2
SCHEMBL9004705 0.84 MAOB (0.54) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL8856667 0.79 ALDH1A1 (0.46) MAPTALDH1A1MAOAMAOBEPHX1
SCHEMBL9004623 0.77 KMT2A (0.47) MAPTALDH1A1MAOAMAOBKMT2A
SCHEMBL9004612 0.75 MAPT (0.54) MAPTALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL9004604 0.74 ALDH1A1 (0.49) MAPTALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL9004636 0.73 CYP1A2 (0.51) MAPTALDH1A1MAOBKMT2ASMN1; SMN2
SCHEMBL9004661 0.72 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2CYP1A2

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