SCHEMBL8033980

SCHEMBL8033980

Cn1nnc(Sc2nc(CC(=O)O)cs2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 6/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL8048752 0.86 HSD17B10 (0.42) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8050333 0.85 GABRA5 (0.40) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8709917 0.85 LMNA (0.33) HSD17B10GABRA5GABRB2LMNAPOLB
SCHEMBL8042264 0.84 ALDH1A1 (0.41) HSD17B10GABRA5GABRB2LMNAPOLB
SCHEMBL8044114 0.84 HSD17B10 (0.40) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8045034 0.83 RAB9A (0.41) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8042878 0.83 HSD17B10 (0.42) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8044611 0.79 LMNA (0.39) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8044346 0.78 LMNA (0.41) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8044613 0.78 ALDH1A1 (0.38) HSD17B10GABRA5GABRB2LMNAALDH1A1

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