SCHEMBL9684724

SCHEMBL9684724

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 5/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
BRD4 O60885 1/20 0.48
CYP2J2 P51589 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TOP1 P11387 5/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD3 P35462 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
SCHEMBL9686688 0.86 ALDH1A1 (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9685706 0.81 ALDH1A1 (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9684719 0.80 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9684708 0.78 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9685908 0.78 ALDH1A1 (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9684993 0.77 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9685581 0.75 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9145291 0.74 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9147313 0.74 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9145305 0.74 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10

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