SCHEMBL10698921

SCHEMBL10698921

COc1cc(C(F)(F)F)nc(SC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.36
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL13021074 0.84 POLB (0.41) GAAKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2900606 0.82 ALDH1A1 (0.44) L3MBTL1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL5353299 0.80 LMNA (0.45) GAAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20985696 0.78 ALDH1A1 (0.36) L3MBTL1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19805759 0.76 ADORA2A (0.50) L3MBTL1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL29975953 0.76 ADORA2A (0.50) L3MBTL1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL77207 0.76 HSP90AA1 (0.55) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL13012210 0.76 GAA (0.50) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL254039 0.76 POLB (0.44) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL8561459 0.75 PTGES (0.43) GAAL3MBTL1KDM4EALDH1A1SMN1; SMN2

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
EP-0285978-A2 Substituted 1-(2-oxyaminosulfonyl-phenylsulfonyl)-3-(4-trifluoromethyl-pyrimidin-2-yl)-(thio)-ureas BAYER AG (DE) 1988-10-12 EP disclosed