SCHEMBL9234517

SCHEMBL9234517

C=Cc1c(F)c(N2CC3CC=CC(NC)C3C2)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KCNH2 Q12809 3/20 0.37
▸ POLB P06746 2/20 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
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 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
SCHEMBL9694860 0.91 MEN1 (0.48) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9227704 0.89 MEN1 (0.38) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851601 0.89 MEN1 (0.51) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694375 0.88 MEN1 (0.40) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694117 0.85 MEN1 (0.36) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9416448 0.84 MEN1 (0.35) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9233385 0.83 MEN1 (0.43) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694116 0.83 KDM4E (0.43) MEN1KMT2AKCNH2POLBALDH1A1
SCHEMBL9416431 0.82 KCNH2 (0.36) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9692946 0.79 ALDH1A1 (0.49) MEN1KMT2AKCNH2POLBALDH1A1

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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