SCHEMBL10358349

SCHEMBL10358349

N#CC(C#N)Sc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
ALDH1A1 P00352 6/20 0.58
ALOX15 P16050 5/20 0.58
HSD17B10 Q99714 5/20 0.58
FBP1 P09467 3/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
MC5R P33032 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58
CCR2 P41597 1/20 0.58
HTR6 P50406 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDK1 Q15118 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL2634521 0.84 HPGD (0.54) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL10358647 0.84 ALDH1A1 (0.54) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL6906251 0.81 HPGD (0.54) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL10644534 0.80 ALDH1A1 (0.50) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL11460337 0.80 FBP1 (0.52) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL9067753 0.80 ALDH1A1 (0.53) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL27404785 0.78 APEX1 (0.51) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL15003935 0.77 ALDH1A1 (0.63) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL7910140 0.77 ALDH1A1 (0.63) HPGDALDH1A1ALOX15HSD17B10FBP1
SCHEMBL10927242 0.77 ALDH1A1 (0.63) HPGDALDH1A1ALOX15HSD17B10FBP1

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-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed