SCHEMBL8046497

SCHEMBL8046497

Cn1cnnc1Sc1nc(CC(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
GCK P35557 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
APEX1 P27695 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8050055 0.79 SMN1; SMN2 (0.47) HSD17B10GABRA5GABRB2LMNARAB9A
SCHEMBL8032345 0.79 HSD17B10 (0.43) HSD17B10GABRA5GABRB2LMNARAB9A
SCHEMBL8042846 0.76 HSD17B10 (0.40) HSD17B10GABRA5GABRB2LMNARAB9A
SCHEMBL8044541 0.75 ALOX15 (0.41) HSD17B10GABRA5GABRB2LMNAPOLB
SCHEMBL8042994 0.74 GABRA5 (0.41) HSD17B10GABRA5GABRB2LMNAPOLB
SCHEMBL8033896 0.74 NPC1 (0.54) HSD17B10POLBRAB9AL3MBTL1ALDH1A1
SCHEMBL8044648 0.74 HSD17B10 (0.50) HSD17B10GCKLMNAPOLBAPEX1
SCHEMBL8033980 0.74 HSD17B10 (0.43) HSD17B10GABRA5GABRB2LMNAPOLB
SCHEMBL9332045 0.74 HSD17B10 (0.56) HSD17B10GABRA5GABRB2LMNARAB9A
SCHEMBL8044815 0.73 GABRA5 (0.40) HSD17B10GABRA5GABRB2LMNAPOLB

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