SCHEMBL8032345

SCHEMBL8032345

Cn1nnnc1Sc1nc(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
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 6/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
PIP4K2C Q8TBX8 2/20 0.38
GAA P10253 2/20 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
SCHEMBL8044541 0.85 ALOX15 (0.41) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8042994 0.85 GABRA5 (0.41) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8043409 0.84 HSD17B10 (0.43) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8044815 0.84 GABRA5 (0.40) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8044066 0.83 HTT (0.45) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8051238 0.83 HSD17B10 (0.42) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8033866 0.81 HSD17B10 (0.40) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8051833 0.80 POLB (0.54) HSD17B10SMN1; SMN2LMNAALDH1A1TP53
SCHEMBL8046497 0.79 HSD17B10 (0.43) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2
SCHEMBL8050055 0.79 SMN1; SMN2 (0.47) HSD17B10GABRA5GABRB2RAB9ASMN1; SMN2

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