SCHEMBL8277994

SCHEMBL8277994

CCCCCCCCc1cc(OC)c2ccc(OC)c(Br)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 8/20 0.37
PTGS2 P35354 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL18199929 0.74 PDE4B (0.40) LMNASMN1; SMN2PTGS2
SCHEMBL951984 0.73 LMNA (0.55) KCNH2LMNASMN1; SMN2
SCHEMBL8154305 0.71 KDM4E (0.39) SMN1; SMN2
SCHEMBL10035363 0.71 KCNH2 (0.52) KCNH2ALOX5
SCHEMBL22798566 0.71 PRNP (0.44) LMNASMN1; SMN2HRH2HRH3
SCHEMBL16106418 0.69 NQO2 (0.41) LMNA
SCHEMBL20855334 0.69 ALOX5 (0.39) KCNH2ALOX5PTGS2HRH2HRH3
SCHEMBL31587740 0.69 LMNA (0.56) LMNASMN1; SMN2
SCHEMBL10949246 0.68 MEN1 (0.47) LMNASMN1; SMN2PTGS2HRH2HRH3
SCHEMBL2334699 0.68 LMNA (0.59) LMNASMN1; SMN2

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-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed