SCHEMBL9814874

SCHEMBL9814874

CC(=O)Nc1cccc(CN(Cc2cccc(NC(C)=O)c2)c2ccc(C=Cc3ccc([N+](=O)[O-])c(C#N)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
SNCA P37840 5/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL9798455 0.83 MAPT (0.51) MAPTSMN1; SMN2NPC1L3MBTL1RAB9A
SCHEMBL9798425 0.83 MAPT (0.51) MAPTSMN1; SMN2NPC1L3MBTL1RAB9A
SCHEMBL9798431 0.83 MAPT (0.51) MAPTSMN1; SMN2NPC1L3MBTL1RAB9A
SCHEMBL9798449 0.83 MAPT (0.51) MAPTSMN1; SMN2NPC1L3MBTL1RAB9A
SCHEMBL9799223 0.76 MEN1 (0.53) MAPTL3MBTL1SNCAMEN1KMT2A
SCHEMBL9798764 0.74 ALDH3A1 (0.46) MAPTNPC1RAB9ASNCAMEN1
SCHEMBL9798595 0.73 MEN1 (0.50) MAPTL3MBTL1SNCAMEN1KMT2A
SCHEMBL9798589 0.73 MEN1 (0.50) MAPTL3MBTL1SNCAMEN1KMT2A
SCHEMBL9814655 0.72 ALDH1A1 (0.38) MAPTRAB9ASNCAMEN1KMT2A
SCHEMBL9798663 0.72 ALDH1A1 (0.38) MAPTRAB9ASNCAMEN1KMT2A

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-0438557-A1 NON-LINEAR OPTICALLY ACTIVE POLYIMIDES MERCK PATENT GmbH (DE) 1991-07-31 EP disclosed
WO-1991003001-A1 NON-LINEAR OPTICALLY ACTIVE POLYIMIDES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed