SCHEMBL8024498

SCHEMBL8024498

COC(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTGER4 P35408 1/20 0.50
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL31237090 0.91 MAPT (0.59) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL4537985 0.87 MAPT (0.62) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL15687598 0.87 POLB (0.61) MAPTL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL29342739 0.87 MAPT (0.59) MAPTTDP1KMT2AALDH1A1RAB9A
SCHEMBL31072813 0.87 MAPT (0.59) MAPTTDP1KMT2AALDH1A1RAB9A
SCHEMBL4542148 0.85 LMNA (0.53) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL5361493 0.85 MAPT (0.70) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL29343397 0.85 KMT2A (0.50) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL31072780 0.85 KMT2A (0.50) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL30984081 0.83 MAPT (0.57) MAPTTDP1L3MBTL1KMT2AALDH1A1

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