SCHEMBL9686022

SCHEMBL9686022

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NC(=O)C(F)(F)F)C3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.52
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
DRD3 P35462 1/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
TOP2A P11388 1/20 0.46
CYP2C9 P11712 1/20 0.46
TOP2B Q02880 1/20 0.46
BRD4 O60885 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL9045127 0.83 TOP1 (0.61) TOP1ALDH1A1KDM4EDRD3HPGD
SCHEMBL9686359 0.81 TOP1 (0.64) TOP1ALDH1A1KDM4EDRD3HPGD
SCHEMBL9686811 0.80 TOP1 (0.51) TOP1ALDH1A1KDM4EDRD3HPGD
SCHEMBL9685581 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL9685920 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL9686875 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL9685571 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL9686810 0.77 ALDH1A1 (0.50) TOP1ALDH1A1KDM4EDRD3HPGD
SCHEMBL9685706 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EDRD3HPGDHSD17B10
SCHEMBL5569676 0.77 KDM4E (0.62) TOP1ALDH1A1KDM4EHPGDHSD17B10

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 5 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
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed