SCHEMBL9504102

SCHEMBL9504102

O=CN1CCN(c2cc3c(c(F)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
HRH3 Q9Y5N1 1/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
TOP2B Q02880 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TOP2A P11388 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPT P10636 1/20 0.52
PIK3CG P48736 6/20 0.45
PIK3CD O00329 5/20 0.45
PIK3R1 P27986 5/20 0.45
PIK3CA P42336 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9501344 0.87 KCNH2 (0.62) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9501123 0.85 KDM4E (0.70) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL31402728 0.83 KDM4E (0.74) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL10807096 0.83 KDM4E (0.74) KDM4EALDH1A1LMNATOP2BHPGD
SCHEMBL10683407 0.82 KCNH2 (0.64) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9502038 0.80 KCNH2 (0.69) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL10575715 0.80 MEN1 (0.67) KCNH2HRH3KDM4EALDH1A1TOP2B
SCHEMBL9502534 0.80 KCNH2 (0.69) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9501145 0.80 KCNH2 (0.87) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9504545 0.79 KCNH2 (0.63) KCNH2HRH3KDM4EALDH1A1LMNA

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 4 patents. 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 disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed