SCHEMBL8042447

SCHEMBL8042447

Cc1ccc(-n2nnnc2Sc2nccs2)c(S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
LMNA P02545 9/20 0.43
HTT P42858 5/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
RAB9A P51151 1/20 0.40
MITF O75030 1/20 0.39
FBP1 P09467 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 2/20 0.36
PKM P14618 2/20 0.33
STAT3 P40763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 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
SCHEMBL8042735 0.82 ALDH1A1 (0.44) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8044975 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8044791 0.78 ALDH1A1 (0.42) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8042531 0.77 ALDH1A1 (0.47) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8046087 0.76 ALDH1A1 (0.41) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8033933 0.76 MITF (0.39) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8048211 0.76 ALDH1A1 (0.50) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8048172 0.76 MITF (0.47) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8044096 0.76 LMNA (0.45) ALDH1A1LMNAHTTTSHRMAPK1
SCHEMBL8045872 0.76 FBP1 (0.40) ALDH1A1LMNAHTTMAPK1TP53

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