SCHEMBL9481027

SCHEMBL9481027

CC(=O)Oc1cccc(N(C)c2ccc(N(C)c3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.56
MTNR1B P49286 7/20 0.56
CYP3A4 P08684 1/20 0.53
LMNA P02545 1/20 0.53
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ELANE P08246 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9481531 0.86 ELANE (0.59) LMNATDP1ATML3MBTL1ELANE
SCHEMBL9479339 0.85 LMNA (0.54) MTNR1AMTNR1BCYP3A4LMNAACHE
SCHEMBL4410973 0.83 LMNA (0.56) MTNR1AMTNR1BCYP3A4LMNAACHE
SCHEMBL11265429 0.83 ACHE (0.60) MTNR1AMTNR1BCYP3A4LMNAACHE
SCHEMBL28779265 0.78 CYP3A4 (0.50) CYP3A4LMNAACHEBCHETDP1
SCHEMBL11199347 0.78 L3MBTL1 (0.53) LMNATDP1ATML3MBTL1ELANE
Trimethylammonium SCHEMBL27796894 0.77 MAPT (0.61) CYP3A4LMNAACHETDP1ALDH1A1
SCHEMBL17028900 0.76 LMNA (0.76) CYP3A4LMNAACHETDP1ELANE
SCHEMBL249305 0.76 LMNA (0.76) CYP3A4LMNAACHETDP1ELANE
SCHEMBL12700611 0.76 PGR (0.47) MTNR1AMTNR1BLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210065-A A mixture of an aromatic amine, an oxidizer and an acid MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-05-11 US disclosed
EP-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed