SCHEMBL8048086

SCHEMBL8048086

CC(C)n1nnnc1Sc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
CASP1 P29466 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR7 P34969 1/20 0.34
FDPS P14324 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8038016 0.80 HTT (0.46) FBP1PDK1ALDH1A1GAASMN1; SMN2
SCHEMBL8042471 0.76 ALDH1A1 (0.47) FBP1PDK1ALDH1A1GAASMN1; SMN2
SCHEMBL8043834 0.76 FBP1 (0.39) FBP1PDK1ALDH1A1GAASMN1; SMN2
SCHEMBL8051723 0.76 ALDH1A1 (0.37) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL8045872 0.74 FBP1 (0.40) FBP1PDK1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8042151 0.74 CYP1A2 (0.37) ALDH1A1GAASMN1; SMN2RAB9ANPC1
SCHEMBL8045352 0.74 ALOX15 (0.41) FBP1PDK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8042445 0.72 HSD17B10 (0.44) FBP1ALDH1A1GAASMN1; SMN2POLB
SCHEMBL8045496 0.72 ALDH1A1 (0.33) FBP1PDK1ALDH1A1GAASMN1; SMN2
SCHEMBL8043030 0.71 HTT (0.42) FBP1PDK1ALDH1A1GAAPOLB

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