SCHEMBL6669998

SCHEMBL6669998

COc1c(N2CCC(CO)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKD3 O94806 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TOP1 P11387 5/20 0.42

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
SCHEMBL6649151 0.91 KCNH2 (0.59) KCNH2TOP1
SCHEMBL6372572 0.89 KCNH2 (0.44) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6379111 0.88 KCNH2 (0.43) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6669749 0.85 TOP1 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6671608 0.85 TOP1 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6669733 0.85 KCNH2 (0.53) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL5465077 0.85 KCNH2 (0.45) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL7093474 0.85 KCNH2 (0.51) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6377876 0.84 KCNH2 (0.40) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6370780 0.84 KCNH2 (0.46) KCNH2POLBKDM4EPRKD3ALDH1A1

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-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP claimed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO claimed