SCHEMBL9044893

SCHEMBL9044893

NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.56
CYP2C9 P11712 1/20 0.56
ATP6V1B2 P21281 1/20 0.56
TBXA2R P21731 1/20 0.56
EDNRA P25101 1/20 0.56
TARBP2 Q15633 1/20 0.56
DPP4 P27487 6/20 0.52
TOP1 P11387 3/20 0.51
EPHA2 P29317 1/20 0.50
FLT4 P35916 1/20 0.50
GSK3B P49841 1/20 0.50
RARB P10826 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRM2 P08172 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49

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
Esafloxacin SCHEMBL1344407 0.90 LMNA (0.69) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
Esafloxacin SCHEMBL1231132 0.90 LMNA (0.68) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095390 0.89 KMT2A (0.63) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2093446 0.88 KMT2A (0.62) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL11196749 0.86 LMNA (0.56) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL11198791 0.86 LMNA (0.56) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095084 0.86 KMT2A (0.62) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092021 0.86 KMT2A (0.61) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2090820 0.86 KMT2A (0.64) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9838735 0.84 KMT2A (0.69) KMT2ALMNACYP2C9ATP6V1B2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57146775-A None JP disclosed
EP-0360258-B1 Amino acid quinoline and naphthyridine derivatives ABBOTT LAB (US) 1996-08-14 EP disclosed
US-5057520-A Water solubility ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
US-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
EP-0360258-A2 Amino acid quinoline and naphthyridine derivatives ABBOTT LABORATORIES (US) 1990-03-28 EP disclosed
US-4382937-A Naphthyridine derivatives and their use as anti-bacterials DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
JP-S57146775-A 1,8-NAPHTHYRIDINE DERIVATIVE AND ITS SALT DAINIPPON PHARMACEUT CO LTD 1982-09-10 JP disclosed