SCHEMBL9686472

SCHEMBL9686472

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)c(F)c21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
HPGD P15428 8/20 0.54
HSD17B10 Q99714 8/20 0.54
ALDH1A1 P00352 7/20 0.54
PMP22 Q01453 1/20 0.53
TOP2A P11388 5/20 0.52
TOP2B Q02880 4/20 0.52
TOP1 P11387 1/20 0.52
LMNA P02545 4/20 0.51
BRD4 O60885 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
CYP2J2 P51589 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C9 P11712 2/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL10469258 0.89 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9686413 0.86 STAT3 (0.47) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9844986 0.85 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9127931 0.85 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10707825 0.84 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1PMP22
Hydrochloric Acid SCHEMBL11187039 0.84 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL312379 0.83 KDM4E (0.76) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10672331 0.83 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL10667799 0.83 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL9636808 0.83 KDM4E (0.54) KDM4EHPGDHSD17B10ALDH1A1PMP22

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 7 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
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