SCHEMBL8043253

SCHEMBL8043253

Nc1nnc(Sc2nc3ccccc3s2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
ALDH1A1 P00352 4/20 0.56
FBP1 P09467 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 2/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
MC5R P33032 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
OPRK1 P41145 1/20 0.56
CCR2 P41597 1/20 0.56
HTR6 P50406 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PDK1 Q15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL381557 0.84 ALDH1A1 (0.76) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL30005981 0.84 ALDH1A1 (0.76) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8032630 0.81 ALDH1A1 (0.56) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8048725 0.78 ALDH1A1 (0.53) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8044035 0.77 HSD17B10 (0.51) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8048453 0.77 ALDH1A1 (0.51) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8034052 0.77 LMNA (0.59) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8046503 0.77 HSD17B10 (0.55) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8044586 0.77 HPGD (0.51) HPGDALDH1A1FBP1HSD17B10ALOX15
SCHEMBL8043841 0.77 LMNA (0.55) HPGDALDH1A1FBP1HSD17B10ALOX15

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed