SCHEMBL4542148

SCHEMBL4542148

COC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 6/20 0.52
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PTGER4 P35408 1/20 0.51
KMT2A Q03164 2/20 0.49
HCAR3 P49019 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL4537985 0.88 MAPT (0.62) LMNAMAPTALDH1A1RAB9ATDP1
SCHEMBL8024498 0.85 MAPT (0.53) LMNAHTTMAPTALDH1A1RAB9A
SCHEMBL5361493 0.84 MAPT (0.70) MAPTALDH1A1TDP1L3MBTL1PKM
SCHEMBL16713330 0.84 MAPT (0.56) LMNAMAPTALDH1A1RAB9ATDP1
SCHEMBL12004226 0.84 MAPT (0.56) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL15687598 0.83 POLB (0.61) LMNAMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL8033266 0.82 MAPT (0.67) LMNAHTTMAPTALDH1A1RAB9A
SCHEMBL31072780 0.81 KMT2A (0.50) LMNAMAPTALDH1A1RAB9ATDP1
SCHEMBL28571322 0.81 HTT (0.55) LMNAHTTMAPTALDH1A1TDP1
SCHEMBL29343397 0.81 KMT2A (0.50) LMNAMAPTALDH1A1RAB9ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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