SCHEMBL9535029

SCHEMBL9535029

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4=C(C3)C(N)CC4)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
CYP2C9 P11712 1/20 0.61
ATP6V1B2 P21281 1/20 0.61
TBXA2R P21731 1/20 0.61
EDNRA P25101 1/20 0.61
TARBP2 Q15633 1/20 0.61
KMT2A Q03164 2/20 0.47
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
DPP4 P27487 6/20 0.46
CHRM2 P08172 1/20 0.45
DRD1 P21728 1/20 0.45
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45

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
SCHEMBL9535857 0.88 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9535290 0.86 DPP4 (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10677290 0.82 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9534442 0.82 DRD3 (0.61) LMNAKMT2AHSD17B10KDM4EALDH1A1
SCHEMBL9534341 0.82 KDM4E (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Esafloxacin SCHEMBL1344407 0.81 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Esafloxacin SCHEMBL1231132 0.80 LMNA (0.68) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9437352 0.79 LMNA (0.72) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.79 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10676603 0.79 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed