SCHEMBL10915179

SCHEMBL10915179

O=C(O)c1cn(C2CC2)c2c(F)c(Cl)ccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.58
▸ TOP2B Q02880 8/20 0.58
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ GSK3B P49841 3/20 0.46
▸ KCNH2 Q12809 3/20 0.45
▸ CACNA1F O60840 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ CACNA1S Q13698 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL8084266 0.87 TOP2A (0.64) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10330771 0.86 TOP2A (0.60) TOP2ATOP2BPOLBMEN1KMT2A
SCHEMBL4482132 0.85 ALDH1A1 (0.58) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10627007 0.85 KCNH2 (0.48) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL6217925 0.85 TOP2A (0.61) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10915183 0.84 TOP2A (0.43) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL27340789 0.82 KDM4E (0.55) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL10631361 0.81 TOP2A (0.61) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL6217009 0.81 ALDH1A1 (0.60) TOP2ATOP2BPOLBALDH1A1CHRM2
SCHEMBL9149649 0.81 TOP2A (0.67) TOP2ATOP2BPOLBALDH1A1CHRM2

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-0205029-A2 Quinolinecarboxylic acids with an antibacterial activity BAYER AG (DE) 1986-12-17 — — EP disclosed
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