SCHEMBL9799223

SCHEMBL9799223

CCN(CC)c1ccc(C=Cc2ccc([N+](=O)[O-])c(C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
MAPT P10636 8/20 0.53
KMT2A Q03164 8/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.53
ALDH3A1 P30838 3/20 0.44
ALDH1A3 P47895 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
PTBP1 P26599 1/20 0.42
POLB P06746 1/20 0.40
FGFR1 P11362 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SNCA P37840 2/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL9798595 0.96 MEN1 (0.50) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798589 0.96 MEN1 (0.50) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798571 0.91 MAPT (0.45) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798579 0.91 MAPT (0.45) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798764 0.90 ALDH3A1 (0.46) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9799194 0.88 ALDH1A1 (0.40) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798622 0.87 ALDH3A1 (0.44) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9798630 0.87 ALDH3A1 (0.44) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9799268 0.87 ALDH1A1 (0.40) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL9799273 0.86 ALDH1A1 (0.39) MEN1MAPTKMT2AALDH1A1LMNA

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