SCHEMBL8042735

SCHEMBL8042735

Cc1ccc(-n2nnnc2Sc2nc(C)cs2)c(S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
LMNA P02545 9/20 0.44
TSHR P16473 8/20 0.44
HTT P42858 5/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 3/20 0.34
STAT3 P40763 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8042531 0.85 ALDH1A1 (0.47) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8044096 0.83 LMNA (0.45) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8042447 0.82 ALDH1A1 (0.43) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8044791 0.81 ALDH1A1 (0.42) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8050841 0.81 ALDH1A1 (0.37) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8048211 0.79 ALDH1A1 (0.50) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8044975 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8043613 0.78 ALDH1A1 (0.39) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8044236 0.76 ALDH1A1 (0.40) ALDH1A1LMNATSHRHTTMAPK1
SCHEMBL8033933 0.75 MITF (0.39) ALDH1A1LMNATSHRHTTMAPK1

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