SCHEMBL8034115

SCHEMBL8034115

COC(=O)c1ccc(NCC2CCOC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.53
KMT2A Q03164 5/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 4/20 0.49
PTGER4 P35408 1/20 0.49
NPC1 O15118 3/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
VCAM1 P19320 1/20 0.46

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
SCHEMBL4000202 0.93 HCAR3 (0.54) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL24900061 0.91 HPGD (0.45) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL28935443 0.91 HPGD (0.45) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL25734415 0.91 HPGD (0.45) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL22382539 0.91 MAPT (0.63) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL4280959 0.89 KMT2A (0.56) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL3762305 0.85 HPGD (0.58) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL29052814 0.84 HCAR3 (0.69) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL29052815 0.84 HCAR3 (0.69) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL30537052 0.84 HCAR3 (0.69) HCAR3KMT2AMAPTALDH1A1MEN1

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed