SCHEMBL8044673

SCHEMBL8044673

CCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.79
CYP2C9 P11712 1/20 0.79
ATP6V1B2 P21281 1/20 0.79
TBXA2R P21731 1/20 0.79
EDNRA P25101 1/20 0.79
TARBP2 Q15633 1/20 0.79
DRD3 P35462 1/20 0.53
CASP1 P29466 1/20 0.53
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ABCC4 O15439 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
BRD4 O60885 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL11013455 0.93 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4904141 0.92 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.91 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10028900 0.90 LMNA (0.81) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10108591 0.89 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL12665451 0.89 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL659309 0.89 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11080390 0.88 LMNA (0.78) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL29384458 0.88 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL33963 0.88 LMNA (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5095112-A PROCESS FOR THE PREPARATION OF QUINOLONECARBOXYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US claimed
CN-1214009-C N-oxides as antibacterial agents BAYER AG (DE) 2005-08-10 CN disclosed
US-6114351-A N-oxides as antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
CN-1190958-A Novel antimicrobial compositions BAYER AG (DE) 1998-08-19 CN disclosed
US-5095112-A PROCESS FOR THE PREPARATION OF QUINOLONECARBOXYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0270904-A2 Process for the preparation of quinoloncarboxylate esters BAYER AG (DE) 1988-06-15 EP disclosed