SCHEMBL19782880

SCHEMBL19782880

CCCOC(=O)c1sc(Nc2ncccn2)nc1-c1cc(C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.48
P2RY1 P47900 1/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL19783108 0.93 DHODH (0.56) DHODHP2RY1SYKMEN1MAPT
SCHEMBL19782988 0.81 CDC7 (0.46) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL19782989 0.80 DHODH (0.43) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL15993448 0.79 DHODH (0.53) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL29078713 0.79 DHODH (0.56) DHODHP2RY1MEN1MAPTKMT2A
SCHEMBL19782993 0.77 DHODH (0.47) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL15993345 0.76 DHODH (0.58) DHODHMEN1MAPTKMT2A
SCHEMBL15993447 0.72 DHODH (0.54) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL21245761 0.72 CDC7 (0.56) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL15993418 0.72 DHODH (0.53) DHODHMEN1MAPTKMT2AALDH1A1

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