SCHEMBL14413949

SCHEMBL14413949

NC(c1nc2ccccc2s1)[S@@](=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ APEX1 P27695 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL999631 1.00 HPGD (0.51) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL30943481 0.82 HPGD (0.57) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL1001902 0.82 HPGD (0.57) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL13369306 0.81 LOXL2 (0.54) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL27285263 0.78 HPGD (0.49) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL5968633 0.74 LOXL2 (0.67) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL5968556 0.74 LOXL2 (0.67) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL5968526 0.74 LOXL2 (0.67) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL11315321 0.73 LOXL2 (0.53) HPGDLOXL2ALOX5CYP1A2CYP2C9
SCHEMBL19191431 0.73 HPGD (0.54) HPGDLOXL2ALOX5CYP1A2CYP2C9

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-2007107313-A2 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2007-09-27 — — WO disclosed
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