SCHEMBL8044116

SCHEMBL8044116

CS(=O)(=O)c1cnc(Sc2nnnn2C2CCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.42
ALDH1A1 P00352 12/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 4/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37

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
SCHEMBL8050246 0.80 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL8043960 0.78 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL8046664 0.78 CA12 (0.42) MEN1KMT2AALDH1A1TDP1HSD17B10
SCHEMBL8045231 0.77 MAPK8 (0.45) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL8041836 0.76 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL8044376 0.75 CA12 (0.33) TSHRHTT
SCHEMBL8048331 0.75 ALDH1A1 (0.33) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL8045938 0.74 HSD17B10 (0.40) MEN1KMT2AALDH1A1HSD17B10ALOX15
SCHEMBL8044907 0.74 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL8033250 0.72 HTT (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10

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