SCHEMBL8041912

SCHEMBL8041912

c1ccc(Oc2ccc(-n3nnnc3Sc3nccs3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 14/20 0.45
TSHR P16473 4/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 7/20 0.44
MAPT P10636 5/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
JAK2 O60674 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL8032540 0.89 ALDH1A1 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8051272 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8032781 0.81 TP53 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8032815 0.80 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8048040 0.80 HPGD (0.52) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL8042159 0.79 RAB9A (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8044847 0.79 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8042445 0.79 HSD17B10 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8044697 0.78 HSD17B10 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL8047806 0.78 MAPT (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR

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