SCHEMBL29131829

SCHEMBL29131829

CCCCCC(CC)c1cc(Nc2ccccc2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
ALOX12 P18054 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL5340425 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL11440073 0.77 NR1I2 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11804722 0.76 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL23929268 0.76 NR1I2 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL10633096 0.75 NR1I2 (0.42) ALDH1A1PPARGKDM4ECYP1A2CYP2C9
SCHEMBL29744995 0.75 NR1I2 (0.42) ALDH1A1PPARGKDM4ECYP1A2CYP2C9
SCHEMBL7104911 0.75 NR1I2 (0.42) ALDH1A1PPARGKDM4ECYP1A2CYP2C9
SCHEMBL157491 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL8760481 0.73 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL8680807 0.72 KCNH3 (0.42) ALDH1A1MAPTMEN1KMT2AMAPK1

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-116969844-A Synthesis method of N-2-ethylhexyl-N' -phenyl p-phenylenediamine 圣奥化学科技有限公司 2023-10-31 CN disclosed