SCHEMBL19782989

SCHEMBL19782989

CCCOC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.43
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL19783106 0.92 DHODH (0.53) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19782988 0.84 CDC7 (0.46) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19782394 0.84 DHODH (0.38) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19782390 0.83 DHODH (0.36) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19782993 0.81 DHODH (0.47) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19782880 0.80 DHODH (0.48) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL15993345 0.80 DHODH (0.58) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21245761 0.76 CDC7 (0.56) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15993447 0.76 DHODH (0.54) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15993448 0.75 DHODH (0.53) DHODHMEN1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed