SCHEMBL12475644

SCHEMBL12475644

COC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 8/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
KDM4E B2RXH2 4/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
POLB P06746 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL12475505 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL4473861 0.83 KDM4E (0.54) MAPTNPC1KDM4ETRPM8GAA
SCHEMBL10237187 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL8339292 0.82 SMN1; SMN2 (0.72) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL5255659 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL12475892 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL12475538 0.78 PTPN11 (0.60) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL12475559 0.78 MAPT (0.48) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL12475391 0.77 PTPN11 (0.56) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL2580488 0.77 PTPN11 (0.53) SMN1; SMN2MAPTRAB9ANPC1KDM4E

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
WO-2012109573-A1 SUBSTITUTED THIAZOLES FOR USE AS ANTIVIRAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2012-08-16 WO disclosed