SCHEMBL9501385

SCHEMBL9501385

Nc1c(F)c(N2CCNCC2)cc2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TOP2A P11388 2/20 0.53
TOP2B Q02880 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CACNA1F O60840 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPT P10636 1/20 0.38
BRD4 O60885 1/20 0.38
TSHR P16473 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
SCHEMBL9501126 0.91 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9049511 0.89 KCNH2 (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9503656 0.88 KCNH2 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10685971 0.86 KCNH2 (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9500961 0.86 KCNH2 (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9023279 0.85 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8566250 0.82 KCNH2 (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10680718 0.82 POLB (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1857925 0.81 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9808640 0.80 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10

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