SCHEMBL6430032

SCHEMBL6430032

COc1cc(C)c(/N=C2C(=N\c3c(C)cc(OC)cc3C)/N(c3c(C)cc(OC)cc3C)C(=O)N/2c2c(C)cc(OC)cc2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
CRHR1 P34998 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
ELANE P08246 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6430034 1.00 CYP19A1 (0.36) CYP19A1NQO2ALDH1A1LMNAMEN1
SCHEMBL14411558 0.63 ALDH1A1 (0.46) CYP19A1NQO2ALDH1A1LMNAMEN1
SCHEMBL31278382 0.62 MEN1 (0.35) MEN1KMT2A
SCHEMBL6872187 0.62 PDE3B (0.47) NQO2ALDH1A1LMNAHPGDKDM4E
SCHEMBL6872181 0.62 PDE3B (0.47) NQO2ALDH1A1LMNAHPGDKDM4E
SCHEMBL10906204 0.62 ALDH1A1 (0.40) CYP19A1NQO2ALDH1A1LMNAMEN1
SCHEMBL6434245 0.62 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ECYP3A4FFAR4
SCHEMBL6434244 0.62 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ECYP3A4FFAR4
SCHEMBL22430527 0.59 CYP11B1 (0.48) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL30105938 0.59 ALDH1A1 (0.49) CYP19A1NQO2ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090630-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY (US) 2005-04-28 US disclosed
US-6822062-B2 FOR USE IN ADDITION POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY 2004-11-23 US disclosed
US-20040029720-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2004-02-12 US disclosed
US-6660677-B1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2003-12-09 US disclosed
US-20020058768-A1 Supported group 8-10 transition metal Olefin polymerization catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2002-05-16 US disclosed
US-6303720-B1 E.G., NICKEL COMPLEX OF 2,3-BIS(2,6-DIMETHYLPHENYLIMINO)-(1,4)-DITHIANE EASTMAN CHEMICAL COMPANY 2001-10-16 US disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US disclosed