SCHEMBL9129484

SCHEMBL9129484

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@@H]3CN4)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP2C9 P11712 3/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
DPP4 P27487 6/20 0.43
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM2 P08172 1/20 0.40
DRD1 P21728 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL10073771 1.00 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686534 1.00 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL31289391 1.00 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686661 0.92 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686415 0.92 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9687124 0.89 LMNA (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8146819 0.88 DPP4 (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838562 0.85 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9670589 0.85 DPP4 (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10391018 0.84 EPHA2 (0.43) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US claimed
CN-103755710-B One class 2,5-diazabicyclo iieptanes compound and application thereof KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-08-12 CN disclosed
CN-103755710-A 2,5-diazabicyclo heptane compound and application thereof UNIV KUNMING SCIENCE & TECHNOLOGY 2014-04-30 CN disclosed
US-5385906-A Treating gramnegative and grampositive bacterial infections THE UPJOHN COMPANY (US) 1995-01-31 US disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 US disclosed
EP-0349748-B1 SUBSTITUTED N-ARYL-NITROGEN CONTAINING HETEROCYCLES BAYER AG (DE) 1992-11-19 EP disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO disclosed
EP-0349748-A1 Substituted N-aryl-nitrogen containing heterocycles BAYER AG (DE) 1990-01-10 EP disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed