SCHEMBL9416442

SCHEMBL9416442

NC1C=CCC2CN(c3cc(F)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ KCNH2 Q12809 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TOP2A P11388 5/20 0.31
▸ TOP2B Q02880 5/20 0.31
▸ GSK3B P49841 2/20 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
SCHEMBL8783496 0.90 POLB (0.31) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8783548 0.90 ALDH1A1 (0.32) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9416448 0.88 MEN1 (0.35) POLBALDH1A1OPRM1KCNH2MEN1
SCHEMBL9145961 0.87 MEN1 (0.46) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9694106 0.83 ALDH1A1 (0.42) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9694523 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10TOP2A
SCHEMBL9227704 0.82 MEN1 (0.38) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9416431 0.82 KCNH2 (0.36) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9694537 0.80 ALDH1A1 (0.53) POLBALDH1A1OPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9694370 0.80 ALDH1A1 (0.52) POLBALDH1A1OPRM1CHRM2CHRM1

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-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
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