SCHEMBL8545187

SCHEMBL8545187

N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)c(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.55
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
SCN9A Q15858 1/20 0.47
AR P10275 3/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A4 P31645 3/20 0.46
HTR2A P28223 2/20 0.46
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB3 P21860 1/20 0.43
ERBB4 Q15303 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
FFAR1 O14842 1/20 0.43
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL921091 0.86 AR (0.51) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL8546657 0.85 MERTK (0.52) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL17052857 0.84 AR (0.55) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL11649803 0.84 SLC6A4 (0.57) MERTKARKCNH2SLC6A4HTR2A
SCHEMBL2809578 0.81 MERTK (0.49) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL18615539 0.81 MERTK (0.49) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL11424391 0.81 MERTK (0.49) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL4371959 0.81 AR (0.50) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL2788214 0.81 AR (0.55) MERTKSCN9AARKCNH2SLC6A4
SCHEMBL5897452 0.79 SLC6A4 (0.54) MERTKARSLC6A4PARP15PARP10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed