SCHEMBL10860469

SCHEMBL10860469

CCOC(=O)c1c(C2CC2)[nH]c2c(F)c(N3CCC(CN)C3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
TOP1 P11387 8/20 0.40
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36

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
SCHEMBL10856684 0.90 KDM4E (0.35) KCNH2TOP1PIM1GSK3AGSK3B
SCHEMBL6897930 0.85 KDM4E (0.49) KCNH2PIM1GSK3AGSK3BPIM3
SCHEMBL6902945 0.85 PLAT (0.38)
SCHEMBL6904311 0.81 KMT2A (0.39)
SCHEMBL10911645 0.77 KCNH2 (0.47) KCNH2TOP1PIM1GSK3AGSK3B
SCHEMBL6903139 0.75 RXFP1 (0.41)
SCHEMBL10529388 0.74 KCNH2 (0.68) KCNH2TOP1
SCHEMBL11020049 0.71 PIM1 (0.41) KCNH2TOP1PIM1GSK3AGSK3B
SCHEMBL10771130 0.69 NPC1 (0.37)
SCHEMBL10859996 0.68 KCNH2 (0.53) KCNH2TOP1PIM1

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-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed