SCHEMBL4774514

SCHEMBL4774514

Nc1ccc(-c2cc(CCCc3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
HPGD P15428 3/20 0.46
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
FAAH O00519 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4780661 0.91 ABCG2 (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4778315 0.81 POLB (0.44) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4778137 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4776501 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL18409235 0.75 NPC1 (0.68) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4776212 0.74 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4779650 0.73 MAPT (0.46) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6727635 0.73 RAB9A (0.64) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL4778477 0.72 MEN1 (0.45) ALDH1A1MAPTKMT2AMEN1POLB
Biphenyl-4-Amine SCHEMBL27950704 0.72 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1POLB

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