SCHEMBL6559014

SCHEMBL6559014

CC(C)c1nc(COC(N)=O)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.32
DHFR P00374 2/20 0.31
MAPT P10636 1/20 0.31
EPHX1 P07099 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5853041 0.84 GSK3B (0.31)
SCHEMBL8343111 0.83 MAPT (0.33) MAPT
SCHEMBL6966027 0.82 XIAP (0.33) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6957035 0.81 KCNA5 (0.35)
SCHEMBL8109045 0.81 PDE2A (0.32)
SCHEMBL6559757 0.80 TDP1 (0.36) TYMSDHFR
SCHEMBL6560668 0.80 KDM4E (0.31) MAPT
SCHEMBL7086758 0.80 CHRNB2 (0.30)
SCHEMBL8346651 0.78 HSP90B1 (0.32) TYMSDHFR
SCHEMBL14001863 0.77 HSP90B1 (0.31)

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
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
EP-0994106-B1 PROCESS FOR THE PREPARATION OF CARBAMOYLATED IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2004-03-17 EP disclosed
EP-0994106-A1 PROCESS FOR THE PREPARATION OF CARBAMOYLLATED IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2000-04-19 EP disclosed
US-6018049-A Process for the preparation of carbamoylated imidazole derivatives SHIONOGI & CO., LTD. (JP) 2000-01-25 US disclosed