SCHEMBL8053281

SCHEMBL8053281

CCOc1cc(C(N)=O)c2cc3cccc(OCC)c3cc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP10 Q53GL7 2/20 0.43
IRAK4 Q9NWZ3 9/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PARP15 Q460N3 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SYK P43405 1/20 0.41
PKM P14618 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
SCHEMBL10332593 0.84 MEN1 (0.49) KDM4EALDH1A1GAAPARP10IRAK4
SCHEMBL8044038 0.77 ALDH1A1 (0.53) KDM4EALDH1A1GAACYP3A4PARP10
SCHEMBL698749 0.77 KDM4E (0.51) KDM4EALDH1A1GAACYP1A2CYP3A4
SCHEMBL29102436 0.77 CYP2A6 (0.47) ALDH1A1
SCHEMBL29919659 0.77 CYP2A6 (0.47) ALDH1A1
SCHEMBL2314941 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19
SCHEMBL6838380 0.73 KDM4E (0.68) KDM4EALDH1A1CYP3A4PARP10MEN1
SCHEMBL3819303 0.73 CYP2D6 (0.46) KDM4EALDH1A1GAACYP3A4MEN1
Ethenzamide SCHEMBL27612766 0.72 MAPT (0.68) KDM4EGAACYP3A4IRAK4MEN1
Ethenzamide SCHEMBL25624 0.72 MAPT (0.68) KDM4EGAACYP3A4IRAK4MEN1

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-0789020-B1 Process for producing dioxoquinazolines SUMITOMO CHEMICAL CO (JP) 2000-04-12 EP disclosed
US-5780628-A Process for producing dioxoquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0789020-A1 Process for producing dioxoquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-13 EP disclosed