SCHEMBL8745890

SCHEMBL8745890

CC(C)(C)N(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
MAPT P10636 6/20 0.58
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HSD17B10 Q99714 1/20 0.41
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL45354 0.86 MEN1 (0.40) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL2119818 0.86 MEN1 (0.40) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL24699283 0.82 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL12559918 0.82 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL16230934 0.82 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL17974865 0.80 ALDH1A1 (0.41) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL18372417 0.80 ALDH1A1 (0.41) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL22789988 0.80 CYP2C19 (0.45) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL28364629 0.79 MAPT (0.48) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL9066832 0.79 MAPT (0.48) CYP3A4MAPTALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192847-A1 ANTIFOULANT COMPOSITIONS FOR VAPOR-SPACE APPLICATIONS ECOLAB USA INC. (US) 2023-10-05 WO claimed
CN-108752502-B Nitroxide hydroxylamine and phenylenediamine combinations as polymerization inhibitors for ethylenically unsaturated monomer processes 艺康美国股份有限公司 2021-10-29 CN disclosed
EP-0664279-B1 Compositions and methods for inhibiting polymerization of ethylenically unsaturated monomers BETZ EUROP INC (US) 1997-02-12 EP disclosed
EP-0664279-A1 Compositions and methods for inhibiting polymerization of ethylenically unsaturated monomers BETZ EUROPE, INC. (US) 1995-07-26 EP disclosed