SCHEMBL9799286

SCHEMBL9799286

CC(=O)Nc1ccc(C=Cc2ccc([N+](=O)[O-])c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
HTT P42858 2/20 0.49
KMT2A Q03164 6/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.47
ALDH3A1 P30838 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9799279 1.00 MAPT (0.54) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798856 0.89 MAPT (0.58) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798850 0.89 MAPT (0.58) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2333062 0.84 HTT (0.61) MAPTL3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL9798449 0.81 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798425 0.81 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798455 0.81 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798431 0.81 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9798354 0.80 MAPT (0.49) MAPTL3MBTL1ALDH1A1GAAHTT
SCHEMBL9798723 0.79 TDP1 (0.43) MAPTL3MBTL1NPC1RAB9AALDH1A1

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-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed