SCHEMBL3733383

SCHEMBL3733383

COC(=O)c1cc2cc(C)cc([N+](=O)[O-])c2n1C(=O)OC(C)(C)C.COC(=O)c1cc2cc(CBr)cc([N+](=O)[O-])c2n1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 1/20 0.33
NR1H2 P55055 1/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR3C2 P08235 1/20 0.31
KCNH2 Q12809 1/20 0.30
GPR35 Q9HC97 1/20 0.30
VCAM1 P19320 1/20 0.30
ALDH1A1 P00352 2/20 0.30
UCHL1 P09936 1/20 0.30

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
SCHEMBL1278051 0.96 XDH (0.35) MAPTNPC1RAB9AL3MBTL1XDH
SCHEMBL1277887 0.91 NR1H2 (0.37) MAPTNPC1RAB9AL3MBTL1XDH
SCHEMBL3720400 0.89 ALDH1A1 (0.32) XDHNR1H2ALDH1A1
SCHEMBL1277664 0.88 ALDH1A1 (0.35) MAPTNPC1RAB9AL3MBTL1POLB
SCHEMBL15015037 0.86 XDH (0.35) MAPTNPC1RAB9AL3MBTL1XDH
SCHEMBL1278068 0.83 XDH (0.33) MAPTNPC1RAB9AL3MBTL1XDH
SCHEMBL3727035 0.81 XDH (0.49) MAPTNPC1RAB9AL3MBTL1XDH
SCHEMBL2904421 0.80 GPR35 (0.38) MAPTNPC1RAB9AL3MBTL1NR1H2
SCHEMBL3027251 0.79 MEN1 (0.48) RAB9AL3MBTL1POLBALDH1A1MEN1
SCHEMBL13769207 0.78 ALDH1A1 (0.35) MAPTNPC1RAB9AL3MBTL1POLB

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
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed