SCHEMBL9060596

SCHEMBL9060596

Cc1nc(SCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c(=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.44
DRD2 P14416 4/20 0.44
TBXA2R P21731 4/20 0.44
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7014284 0.83 MAOA (0.52) MAOAMAOBLMNARXFP1MEN1
SCHEMBL7017363 0.82 MAOA (0.46) MAOAMAOBLMNARXFP1MEN1
SCHEMBL7018169 0.82 KDM4E (0.57) MAOAMAOBLMNAMEN1KMT2A
SCHEMBL7011339 0.82 MAOA (0.46) MAOAMAOBLMNARXFP1MEN1
SCHEMBL7013210 0.81 MEN1 (0.53) MAOAMAOBLMNAMEN1KMT2A
SCHEMBL7015339 0.81 KMT2A (0.68) LMNAMEN1KMT2AMAPTTP53
SCHEMBL7019775 0.81 MEN1 (0.58) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL7012234 0.81 MEN1 (0.50) MAOAMAOBLMNARXFP1MEN1
SCHEMBL7011263 0.81 MAOA (0.52) MAOAMAOBLMNARXFP1MEN1
SCHEMBL7018370 0.81 MEN1 (0.50) MAOAMAOBLMNARXFP1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8311041-A None JP disclosed
JP-H08311041-A HETEROCYCLIC COMPOUND AND PREPARATION THEREFROM TAKEDA CHEM IND LTD 1996-11-26 JP disclosed