SCHEMBL8033933

SCHEMBL8033933

Cc1ccc(-n2nnnc2Sc2ncc(S(C)(=O)=O)s2)c(S)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.39
ALDH1A1 P00352 10/20 0.39
LMNA P02545 9/20 0.39
TSHR P16473 6/20 0.39
HTT P42858 5/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.32
STAT3 P40763 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PTGS2 P35354 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL8044975 0.83 ALDH1A1 (0.41) MITFALDH1A1LMNATSHRHTT
SCHEMBL8046087 0.82 ALDH1A1 (0.41) MITFALDH1A1LMNATSHRHTT
SCHEMBL8048172 0.81 MITF (0.47) MITFALDH1A1LMNATSHRHTT
SCHEMBL8044870 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8032425 0.78 ALDH1A1 (0.41) MITFALDH1A1LMNATSHRHTT
SCHEMBL8041889 0.78 LMNA (0.33) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8048309 0.77 ALDH1A1 (0.52) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8047788 0.77 LMNA (0.31) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8051721 0.76 ALDH1A1 (0.47) ALDH1A1LMNATSHRHTTTP53
SCHEMBL8042447 0.76 ALDH1A1 (0.43) MITFALDH1A1LMNATSHRHTT

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed