SCHEMBL8032467

SCHEMBL8032467

O=C(O)Cc1csc(Sc2nnc(-c3ccccc3)s2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
GAA P10253 3/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.43
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8045227 0.84 KDM4E (0.46) GSK3BGAAKDM4ESMN1; SMN2LMNA
SCHEMBL8052363 0.82 TSHR (0.42) HDAC6LMNAALDH1A1PTGDR2POLB
SCHEMBL8046229 0.81 HDAC1 (0.44) HDAC6KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL8044307 0.80 HSD17B10 (0.47) GSK3BGAAKDM4ESMN1; SMN2LMNA
SCHEMBL8042478 0.79 GAA (0.49) GAAKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL8031866 0.79 HSD17B10 (0.58) GAAKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL11591241 0.78 HSD17B10 (0.51) GAAHDAC6KDM4ESMN1; SMN2LMNA
SCHEMBL8044290 0.77 HSD17B10 (0.45) GSK3BGAAKDM4ESMN1; SMN2LMNA
SCHEMBL1422234 0.77 LMNA (0.74) GAAKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL8050637 0.76 HDAC6 (0.49) GAAHDAC6KDM4ESMN1; SMN2LMNA

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