SCHEMBL9870461

SCHEMBL9870461

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH3A1 P30838 1/20 0.35
VCAM1 P19320 1/20 0.35
INSR P06213 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HTT P42858 2/20 0.34
SNCA P37840 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 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
SCHEMBL9798524 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9799219 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798482 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798479 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798337 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798908 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9799273 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798779 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798868 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9798530 0.95 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AMAPT

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-0423268-A1 BRANCHED, DIPOLAR-ORIENTED POLYMER MATERIALS MERCK PATENT GmbH (DE) 1991-04-24 EP disclosed
WO-1990012831-A1 BRANCHED, DIPOLAR-ORIENTED POLYMER MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-01 WO disclosed