SCHEMBL6849219

SCHEMBL6849219

CCC/C(Cl)=C(/C=O)C(=O)c1ccc(CSc2nnnn2C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.40
GLA P06280 1/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
MAPK10 P53779 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6849223 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5183085 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5183906 0.79 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5184506 0.77 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5182346 0.72 ALDH1A1 (0.53) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5183796 0.72 ALDH1A1 (0.46) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5184946 0.70 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5184497 0.69 ALDH1A1 (0.67) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5184220 0.69 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1RAB9A
SCHEMBL5183754 0.69 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1RAB9A

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
US-6770599-B2 Tetrazole derivatives BAYER CROPSCIENCE KK (JP) 2004-08-03 US disclosed