SCHEMBL9684719

SCHEMBL9684719

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(c4ccccc4)C3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 8/20 0.49
HSD17B10 Q99714 7/20 0.49
LMNA P02545 6/20 0.49
HPGD P15428 6/20 0.49
HTT P42858 3/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
TOP2B Q02880 1/20 0.49
BRD4 O60885 1/20 0.49
CYP2J2 P51589 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TOP1 P11387 5/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DRD3 P35462 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9685581 0.87 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL11123405 0.86 KDM4E (0.69) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL10510514 0.85 KDM4E (0.70) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5086478 0.83 KDM4E (0.48) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9686960 0.83 LMNA (0.51) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9685706 0.82 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9684724 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL11122849 0.79 KDM4E (0.67) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL10887979 0.79 KDM4E (0.69) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9045127 0.79 TOP1 (0.61) KDM4EALDH1A1HSD17B10LMNAHPGD

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