SCHEMBL12475798

SCHEMBL12475798

CCOC(=O)c1sc(-c2ccc(Cl)cc2)nc1-c1ccco1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.63
MAPT P10636 1/20 0.63
CDC7 O00311 10/20 0.55
DBF4 Q9UBU7 10/20 0.55
PTPN11 Q06124 2/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.52
DHODH Q02127 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
PPARG P37231 1/20 0.52
KMT2A Q03164 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL2885708 0.79 TRPM8 (0.78) TRPM8MAPTCDC7DBF4PTPN11
Bromide SCHEMBL1257330 0.78 ALDH1A1 (0.64) MAPTCDC7DBF4KDM4EMEN1
SCHEMBL15048955 0.78 TRPM8 (1.00) TRPM8MAPTCDC7DBF4PTPN11
SCHEMBL15049091 0.77 MAPT (0.53) TRPM8MAPTCDC7DBF4PTPN11
SCHEMBL10878746 0.77 KDM4E (0.48) TRPM8MAPTPTPN11PTGDR2KDM4E
SCHEMBL299752 0.77 ALDH1A1 (0.60) TRPM8MAPTCDC7DBF4KDM4E
SCHEMBL11159408 0.76 MAPT (0.62) TRPM8MAPTCDC7DBF4PTPN11
SCHEMBL12475713 0.76 TRPM8 (0.70) TRPM8MAPTCDC7DBF4PTPN11
SCHEMBL4503056 0.75 CDC7 (0.88) TRPM8CDC7DBF4DHODHKDM4E
SCHEMBL2886595 0.75 TRPM8 (0.71) TRPM8MAPTCDC7DBF4PTPN11

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