SCHEMBL20569285

SCHEMBL20569285

O=[N+]([O-])c1cn(CCCc2ccc(Cl)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.41
QPCTL Q9NXS2 1/20 0.40
GAA P10253 2/20 0.39
KCNJ1 P48048 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
NLRP1 Q9C000 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20572272 0.78 L3MBTL1 (0.57) L3MBTL1ALDH1A1PKMKMT2AGAA
SCHEMBL1395967 0.77 TAAR1 (0.63) L3MBTL1TAAR1ALDH1A1PKMKMT2A
SCHEMBL14696607 0.77 L3MBTL1 (0.53) L3MBTL1TAAR1ALDH1A1PKMKMT2A
Hydrochloric Acid SCHEMBL19468892 0.76 TAAR1 (0.62) L3MBTL1TAAR1ALDH1A1PKMKMT2A
SCHEMBL8446165 0.76 L3MBTL1 (0.49) L3MBTL1TAAR1ALDH1A1PKMKMT2A
SCHEMBL20569330 0.76 HMOX1 (0.40)
SCHEMBL20570094 0.76 CYP19A1 (0.44)
SCHEMBL19406117 0.75 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMKMT2A
SCHEMBL28813221 0.75 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMKMT2A
SCHEMBL4412173 0.75 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed