SCHEMBL8050159

SCHEMBL8050159

CC(C)(C)c1nnc(Sc2nc3c(Cl)cccc3s2)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDE7A Q13946 1/20 0.39
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
F2RL3 Q96RI0 2/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL8043566 0.84 HSP90AA1 (0.46) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8050718 0.83 HTT (0.51) LMNAMAPTHSP90AA1HSP90AB1SMN1; SMN2
SCHEMBL8041927 0.79 TP53 (0.47) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8044158 0.78 TSHR (0.54) LMNAMAPTNPC1SMN1; SMN2HTT
SCHEMBL8046872 0.78 RPA1 (0.52) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8044154 0.78 SMN1; SMN2 (0.43) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8042069 0.78 LMNA (0.40) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8046642 0.77 ALDH1A1 (0.36) LMNAMAPTSMN1; SMN2HTTNPSR1
SCHEMBL8044821 0.77 ALDH1A1 (0.47) LMNAMAPTNPC1HSP90AA1HSP90AB1
SCHEMBL8720215 0.76 HTT (0.48) LMNAMAPTNPC1HSP90AA1HSP90AB1

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