SCHEMBL3723045

SCHEMBL3723045

Cc1c(Br)sc(C(=O)O)c1NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.39
CA2 P00918 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
PTPN1 P18031 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL614077 0.85 ALDH1A1 (0.37) CA2TRPM8L3MBTL1KDM4ELMNA
SCHEMBL8705267 0.70 GRIN2C (0.40) TRPM8
SCHEMBL3715260 0.70 ALDH1A1 (0.52) GPR35CA2L3MBTL1KDM4E
SCHEMBL29199762 0.68 IKBKB (0.46) TRPM8KDM4ELMNA
SCHEMBL319190 0.68 GPR35 (0.57) GPR35PTPN1KDM4E
SCHEMBL5121549 0.67 GRM6 (0.49) TRPM8KDM4ELMNA
SCHEMBL3715482 0.67 PTPN5 (0.38) GPR35CA2L3MBTL1PTPN1
SCHEMBL26626874 0.65 GPR35 (0.48) GPR35PTPN1KDM4E
SCHEMBL20894452 0.65 GPR35 (0.48) GPR35PTPN1KDM4E
SCHEMBL14910293 0.65 ALDH1A1 (0.54) CA2L3MBTL1KDM4ELMNA

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-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed