SCHEMBL9234530

SCHEMBL9234530

C=Cc1c(F)c(N2CCN(CC)CC2)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 6/20 0.37
▸ POLB P06746 3/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ GSK3B P49841 3/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ TOP2A P11388 2/20 0.33
▸ TOP2B Q02880 2/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL10682678 0.90 MEN1 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10680080 0.87 CACNA1F (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8852040 0.86 MEN1 (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9231288 0.85 POLB (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL10683428 0.84 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9233385 0.84 MEN1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8327191 0.83 MEN1 (0.37) ALDH1A1MEN1KMT2AKCNH2POLB
SCHEMBL10685467 0.82 CACNA1F (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10685697 0.80 MEN1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10679847 0.80 MEN1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA

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-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 — — EP disclosed
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