SCHEMBL9798337

SCHEMBL9798337

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH3A1 P30838 2/20 0.38
INSR P06213 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HTT P42858 1/20 0.35
KDM4A O75164 1/20 0.34

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
SCHEMBL9798530 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9799219 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798524 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798482 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798868 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9799273 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798479 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798779 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798908 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL9798683 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1LMNAKMT2A

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