SCHEMBL9585476

SCHEMBL9585476

Cc1c(F)c(N2CCN3CCC2C3)cc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TOP2A P11388 5/20 0.46
▸ TOP2B Q02880 5/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42

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
SCHEMBL7997862 0.91 KCNH2 (0.54) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL7997865 0.91 KCNH2 (0.54) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10378233 0.86 KCNH2 (0.48) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL5508837 0.82 KCNH2 (0.64) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL30181127 0.82 KCNH2 (0.64) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL13789926 0.81 KCNH2 (0.63) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL8102541 0.81 KCNH2 (0.72) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL8118056 0.81 KCNH2 (0.72) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10586593 0.80 KCNH2 (0.81) KCNH2HRH3ALDH1A1KDM4ELMNA
SCHEMBL10586588 0.80 KCNH2 (0.81) KCNH2HRH3ALDH1A1KDM4ELMNA

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
US-5252734-A Antibacterial 5-alkylquinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1993-10-12 — — US disclosed
US-5140033-A For prevention or treatment of bacterial infections in humans or animals BAYER AKTIENGESELLSCHAFT (DE) 1992-08-18 — — US disclosed
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