SCHEMBL9502044

SCHEMBL9502044

CC1CN(c2cc3c(c(F)c2F)c(=O)c(OC(=O)O)cn3C2CC2)CC(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.46
CACNA1F O60840 1/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKD3 O94806 1/20 0.38

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
SCHEMBL9500961 0.93 KCNH2 (0.52) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL5279366 0.92 KCNH2 (0.48) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9502081 0.89 KCNH2 (0.66) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10817831 0.85 KDM4E (0.54) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9501126 0.85 KDM4E (0.56) KCNH2HRH3POLBKDM4EALDH1A1
SCHEMBL9502534 0.85 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9502038 0.85 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9503656 0.84 KCNH2 (0.62) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10683412 0.84 KCNH2 (0.47) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10698327 0.83 KCNH2 (0.54) KCNH2HRH3MEN1KMT2APOLB

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-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP claimed