SCHEMBL4774611

SCHEMBL4774611

CCCCCCOc1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
EIF4A1 P60842 5/20 0.46
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PSD A5PKW4 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL4776218 0.89 CYP19A1 (0.42) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4779682 0.85 PLA2G2A (0.41) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4774672 0.84 NOS3 (0.43) LTB4RMEN1MAPTKMT2ARAB9A
SCHEMBL4779677 0.84 EIF4A1 (0.43) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4774562 0.82 CYP19A1 (0.42) LTB4RCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL4779671 0.78 EIF4A1 (0.40) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4779650 0.77 MAPT (0.46) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4778477 0.76 MEN1 (0.45) LTB4REIF4A1CYP19A1CYP11B1CYP11B2
SCHEMBL4778107 0.75 LTB4R (0.48) LTB4RCYP19A1CYP11B1CYP11B2MEN1
SCHEMBL4881501 0.74 PTGIR (0.40) MEN1KMT2A

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed