SCHEMBL9837590

SCHEMBL9837590

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C4CCC3CC(N)C4)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 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
DPP4 P27487 6/20 0.48
KMT2A Q03164 2/20 0.47
ABCC4 O15439 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
CHRM2 P08172 1/20 0.46
DRD1 P21728 1/20 0.46
CASP1 P29466 1/20 0.44
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL9838598 1.00 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9839444 0.88 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837301 0.87 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837577 0.87 LMNA (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838732 0.86 DPP4 (0.62) LMNACYP2C9DPP4KMT2AABCC4
SCHEMBL9838624 0.86 DPP4 (0.62) LMNACYP2C9DPP4KMT2AABCC4
SCHEMBL9837344 0.86 DPP4 (0.62) LMNACYP2C9DPP4KMT2AABCC4
SCHEMBL10677290 0.84 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Esafloxacin SCHEMBL1344407 0.83 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838649 0.82 LMNA (0.60) 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
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP claimed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US claimed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP claimed
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed