SCHEMBL5012250

SCHEMBL5012250

COc1c(-c2nnc(C)s2)cc(C=O)c(N2CC(C)OC(C)C2)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 1/20 0.31
TYK2 P29597 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
SCHEMBL5011042 0.89 KDM4E (0.34) KDM4EHTT
SCHEMBL5012158 0.89 KDM4E (0.34) KDM4EHTT
SCHEMBL5011046 0.89 KDM4E (0.34) KDM4EHTT
SCHEMBL5014296 0.86 KDM4E (0.33) KDM4EHTT
SCHEMBL5015663 0.79 GSK3B (0.36) GAKKDM4EHTT
SCHEMBL2258284 0.78 L3MBTL1 (0.36) TSHRNPSR1KDM4EHTTPIK3CA
SCHEMBL2258281 0.78 L3MBTL1 (0.36) TSHRNPSR1KDM4EHTTPIK3CA
SCHEMBL5012859 0.77 KDM4E (0.35) KDM4EHTT
SCHEMBL5010975 0.76 KDM4E (0.33) KDM4EHTT
SCHEMBL5063593 0.76 KDM4E (0.33) KDM4EHTT

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
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed