SCHEMBL9684703

SCHEMBL9684703

COC(=O)c1ncoc1Cc1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.43
HTT P42858 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP2C9 P11712 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL11317135 0.86 PTGIR (0.48) PTGIRCYP2C9PTGER4PTGER2GSK3B
SCHEMBL9033376 0.81 GSK3B (0.49) CYP4F2CYP4A11GSK3B
SCHEMBL7496572 0.80 KDM5A (0.43) PTGIRHTTGSK3B
SCHEMBL7006107 0.77 NPSR1 (0.37) CYP4F2CYP4A11GSK3B
SCHEMBL4768685 0.74 MAPK10 (0.42)
SCHEMBL6656904 0.73 MMP2 (0.52) GSK3B
SCHEMBL823438 0.73 ALDH1A1 (0.46) PTGIRHTT
SCHEMBL626277 0.73 TARBP2 (0.48) HTT
SCHEMBL12138862 0.72 SMN1; SMN2 (0.45) PTGIR
SCHEMBL155151 0.72 KDM4E (0.38) HTT

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
EP-0485929-A1 Substituted azoles, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed