SCHEMBL10447709

SCHEMBL10447709

O=[C]C(S)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
MAPK9 P45984 4/20 0.48
MAPK10 P53779 4/20 0.48
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
ALOX5 P09917 1/20 0.46
CASR P41180 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 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
SCHEMBL10351068 0.80 HPGD (0.58) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL11315321 0.79 LOXL2 (0.53) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL27263671 0.78 HPGD (0.49) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL8413104 0.77 HPGD (0.54) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL20072395 0.77 LOXL2 (0.62) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL5687666 0.75 HPGD (0.60) HPGDLOXL2HSD17B10CYP1A2CYP2C9
SCHEMBL10352168 0.74 LOXL2 (0.54) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL27943317 0.74 HPGD (0.59) HPGDLOXL2MAPK9MAPK10HSD17B10
SCHEMBL21275558 0.73 LOXL2 (0.62) HPGDLOXL2HSD17B10CYP1A2CYP2C9
SCHEMBL27352412 0.73 HPGD (0.54) HPGDLOXL2HSD17B10CYP1A2CYP2C9

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-0359036-A1 Fumagillol derivatives Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed