SCHEMBL28396111

SCHEMBL28396111

Nc1ccc(Nc2ccc(Nc3ccc4c(c3)Cc3cc(Nc5ccc(Nc6ccc(N)cc6)cc5)ccc3C4=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.70
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL25498192 0.85 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL4222228 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL29664158 0.82 MAPK14 (0.59) MAPK14RAD52ALDH1A1CYP1A2CYP3A4
SCHEMBL12891155 0.79 RAB9A (0.61) MAPK14ALDH1A1CYP3A4MAPTALOX12
SCHEMBL28393339 0.78 L3MBTL1 (0.51) MAPK14ALDH1A1MAPTALOX12L3MBTL1
SCHEMBL28068278 0.77 TDP2 (0.53) MAPK14RAD52ALDH1A1CYP1A2CYP3A4
SCHEMBL12298069 0.76 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL28437169 0.75 MEN1 (0.58) MAPK14ALDH1A1MAPT
SCHEMBL4220120 0.75 MAPK14 (0.81) MAPK14
SCHEMBL30426148 0.74 RAB9A (0.60) MAPK14ALDH1A1CYP3A4MAPTALOX12

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
CN-111072506-A Diamine containing anthrone structure and polyimide prepared by using same 湖南工业大学 2020-04-28 CN disclosed