SCHEMBL9685784

SCHEMBL9685784

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(O)C(CN)C3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.51
FLT4 P35916 1/20 0.51
GSK3B P49841 1/20 0.51
RARB P10826 1/20 0.51
TBXAS1 P24557 1/20 0.51
SLC6A3 Q01959 1/20 0.51
DPP4 P27487 6/20 0.51
CHRM2 P08172 1/20 0.51
DRD1 P21728 1/20 0.51
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 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
SCHEMBL10391042 0.84 KMT2A (0.53) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685533 0.83 DPP4 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9686968 0.83 DPP4 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685965 0.83 DPP4 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9686950 0.83 DPP4 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685951 0.83 DPP4 (0.54) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685536 0.83 ALDH1A1 (0.53) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9684737 0.82 LMNA (0.47) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9685180 0.82 DPP4 (0.53) EPHA2FLT4GSK3BRARBTBXAS1
SCHEMBL9686377 0.82 LMNA (0.52) EPHA2FLT4GSK3BRARBTBXAS1

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-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
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