SCHEMBL9798455

SCHEMBL9798455

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH3A1 P30838 1/20 0.43
MAPK1 P28482 1/20 0.40

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
SCHEMBL9798449 1.00 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798431 1.00 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798425 1.00 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798850 0.86 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798856 0.86 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798778 0.85 ALDH1A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9814874 0.83 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9798975 0.81 MAPT (0.46) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL9799286 0.81 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9799279 0.81 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423268-A1 BRANCHED, DIPOLAR-ORIENTED POLYMER MATERIALS MERCK PATENT GmbH (DE) 1991-04-24 EP disclosed
EP-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990012831-A1 BRANCHED, DIPOLAR-ORIENTED POLYMER MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-01 WO 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