SCHEMBL5336561

SCHEMBL5336561

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL4506024 1.00 RAB9A (0.51) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4507577 0.90 RAB9A (0.52) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4503291 0.90 KMT2A (0.45) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL5338964 0.90 KMT2A (0.45) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL4234490 0.89 RAB9A (0.48) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL13763253 0.85 P2RX3 (0.34)
SCHEMBL5334942 0.84 LIPE (0.41) POLBCHRNB4CHRNA3
SCHEMBL4502936 0.84 LIPE (0.41) POLBCHRNB4CHRNA3
SCHEMBL4518401 0.83 PDE10A (0.41)
SCHEMBL5333541 0.83 PDE10A (0.41)

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-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed