SCHEMBL8044290

SCHEMBL8044290

O=C(O)Cc1csc(Sc2nnc(CO)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 5/20 0.35
MAPT P10636 3/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
APEX1 P27695 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL8044307 0.92 HSD17B10 (0.47) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8032606 0.89 HSD17B10 (0.43) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8042682 0.88 HSD17B10 (0.44) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8050236 0.86 HSD17B10 (0.43) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8050460 0.85 HSD17B10 (0.42) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8713530 0.85 GABRA5 (0.34) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8032524 0.84 ALDH1A1 (0.41) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8051387 0.84 HSD17B10 (0.41) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8052363 0.83 TSHR (0.42) HSD17B10GABRA5GABRB2LMNAALDH1A1
SCHEMBL8046229 0.82 HDAC1 (0.44) HSD17B10LMNAALDH1A1KDM4EHPGD

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