SCHEMBL10679247

SCHEMBL10679247

CC(=O)CCN1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ KCNH2 Q12809 3/20 0.54
▸ CACNA1F O60840 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CACNA1D Q01668 1/20 0.54
▸ CACNA1S Q13698 1/20 0.54
▸ CACNA1C Q13936 1/20 0.54
▸ TOP2A P11388 2/20 0.51
▸ TOP2B Q02880 2/20 0.51
▸ GSK3B P49841 9/20 0.49
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.42
▸ STAT3 P40763 1/20 0.41

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
SCHEMBL10685692 0.90 MEN1 (0.65) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10679842 0.90 MEN1 (0.65) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10682674 0.88 MEN1 (0.67) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL6712892 0.87 MEN1 (0.71) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10679257 0.86 MEN1 (0.46) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10809502 0.85 KDM4E (0.56) KCNH2POLBTOP2ATOP2BKDM4E
SCHEMBL10683425 0.84 MEN1 (0.63) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL10679862 0.84 MEN1 (0.74) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8438107 0.83 ALDH1A1 (0.49) KCNH2POLBTOP2ATOP2BKDM4E
SCHEMBL10575715 0.82 MEN1 (0.67) MEN1KMT2AKCNH2CACNA1FPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 — — EP claimed
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 — — EP disclosed
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