SCHEMBL4713110

SCHEMBL4713110

CCC1CCCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)C1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PRKD3 O94806 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TOP1 P11387 2/20 0.38

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
SCHEMBL14160482 0.94 KCNH2 (0.51) KCNH2TOP1
SCHEMBL1379981 0.93 KCNH2 (0.53) KCNH2TOP1
Hydrochloric Acid SCHEMBL4525018 0.92 KCNH2 (0.53) KCNH2TOP1
SCHEMBL1383222 0.88 KCNH2 (0.42) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL4505379 0.88 KCNH2 (0.41) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6492803 0.87 KCNH2 (0.51) KCNH2TOP1
SCHEMBL1384477 0.87 KCNH2 (0.59) KCNH2TOP1
Hydrochloric Acid SCHEMBL4518455 0.86 KCNH2 (0.41) KCNH2POLBKDM4EPRKD3ALDH1A1
Hydrochloric Acid SCHEMBL4517172 0.86 KCNH2 (0.59) KCNH2TOP1
SCHEMBL6490336 0.86 KCNH2 (0.52) KCNH2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed