SCHEMBL435631

SCHEMBL435631

CCCc1nc(C)cc(OP(O)(=S)OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL29355963 0.86 TDP1 (0.64) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL10109430 0.86 TDP1 (0.64) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL500245 0.85 TDP1 (0.43) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL9742159 0.78 ALDH1A1 (0.75) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL31190867 0.72 ALDH1A1 (0.52) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL31190871 0.71 TSHR (0.51) TDP1TSHRALDH1A1CYP3A4HSD17B10
SCHEMBL13827600 0.69 HTT (0.45) TSHRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11436041 0.69 NPSR1 (0.48) TDP1HSD17B10
SCHEMBL29414050 0.69 NPSR1 (0.48) TDP1HSD17B10
SCHEMBL13598792 0.67 ALDH1A1 (0.68) TDP1TSHRALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014037202-A2 PESTICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2014-03-13 WO disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012143395-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed