SCHEMBL8041814

SCHEMBL8041814

CCc1ccccc1-n1nnnc1Sc1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 9/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8043031 0.88 KMT2A (0.45) KMT2ALMNATP53MAPTHTT
SCHEMBL8052304 0.86 ALDH1A1 (0.49) KMT2ALMNATP53MAPTHTT
SCHEMBL8052302 0.85 ALDH1A1 (0.51) KMT2ALMNATP53MAPTHTT
SCHEMBL8042104 0.84 ALDH1A1 (0.52) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL8044143 0.83 ALDH1A1 (0.45) KMT2ALMNATP53MAPTHTT
SCHEMBL8043670 0.82 PKM (0.44) KMT2ALMNATP53MAPTHTT
SCHEMBL8045225 0.82 KMT2A (0.46) KMT2ALMNATP53MAPTHTT
SCHEMBL8044412 0.82 SMN1; SMN2 (0.44) KMT2ALMNATP53MAPTHTT
SCHEMBL8042716 0.82 ALDH1A1 (0.52) KMT2ALMNATP53MAPTHTT
SCHEMBL8032425 0.81 ALDH1A1 (0.41) KMT2ALMNATP53MAPTHTT

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