SCHEMBL4776218

SCHEMBL4776218

CCOCCOc1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
LTB4R Q15722 2/20 0.42
EIF4A1 P60842 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR2 P25025 1/20 0.39
POLB P06746 1/20 0.39
PSD A5PKW4 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.38
CNR2 P34972 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
AR P10275 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4774611 0.89 LTB4R (0.47) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4774626 0.85 NOS3 (0.43) LTB4RMEN1KMT2AMAPTALDH1A1
SCHEMBL4779682 0.82 PLA2G2A (0.41) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4774562 0.81 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2LTB4RMEN1
SCHEMBL4779677 0.81 EIF4A1 (0.43) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4779650 0.76 MAPT (0.46) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4779671 0.76 EIF4A1 (0.40) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4778477 0.75 MEN1 (0.45) CYP19A1CYP11B1CYP11B2LTB4REIF4A1
SCHEMBL4794147 0.75 PTGIR (0.40)
SCHEMBL4778107 0.74 LTB4R (0.48) CYP19A1CYP11B1CYP11B2LTB4RMEN1

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