SCHEMBL2032767

SCHEMBL2032767

[CH2]C(O)CN(c1ccc(N)cc1)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PSMD14 O00487 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9437910 0.85 TDP1 (0.41) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL6723886 0.81 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL9856682 0.79 TDP1 (0.52) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL526297 0.79 TDP1 (0.52) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL624324 0.78 CYP3A4 (0.41) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
Sulfuric Acid SCHEMBL8625325 0.72 ALDH1A1 (0.44) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL2032769 0.70 ALDH1A1 (0.41) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL21831591 0.70 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL625329 0.70 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1
SCHEMBL10580701 0.69 ALDH1A1 (0.64) TDP1ALDH1A1CYP3A4MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2329809-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2011-06-08 EP claimed
EP-2329809-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2011-06-08 EP disclosed
WO-2010021132-A1 HAIR DYE COMPOSITION 花王株式会社 (JP) 2010-02-25 WO disclosed