SCHEMBL7035745

SCHEMBL7035745

CCCCCCC(C(O)=S)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39

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
SCHEMBL8593945 0.95 HPGD (0.48) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL717958 0.84 HPGD (0.53) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL7036518 0.84 RAB9A (0.44) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL10597806 0.83 LOXL2 (0.45) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
Icosylamine SCHEMBL9443139 0.83 LOXL2 (0.45) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL9443061 0.83 NPC1 (0.40) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL10597811 0.82 PKM (0.44) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL9443236 0.81 LOXL2 (0.40) HPGDLOXL2L3MBTL1CYP1A2CYP2C19
SCHEMBL10889976 0.81 PKM (0.44) HPGDL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL9443275 0.81 LOXL2 (0.40) HPGDLOXL2L3MBTL1CYP1A2CYP2C19

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-0996769-B1 COMPOSTION FOR TEMPORARILY PROTECTING METAL PARTS AGAINST CORROSION, PREPARATION AND APPLICATION METHODS AND METAL PARTS OBTAINED FROM SAID COMPOSTION LORRAINE LAMINAGE (FR) 2003-03-05 EP claimed