SCHEMBL27445399

SCHEMBL27445399

O=C(O)c1cn(C2CC2)c2cc(-c3ccc(NC(=O)C(F)F)cc3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MAPT P10636 1/20 0.48
PIK3CG P48736 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3CA P42336 2/20 0.46
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27445403 0.89 KDM4E (0.55) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10591008 0.84 TOP2A (0.59) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10590986 0.83 TOP2A (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL8194488 0.81 TOP2A (0.67) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10590445 0.81 TOP2A (0.53) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10589765 0.80 PIK3CG (0.60) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27444467 0.80 TOP2B (0.52) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27443718 0.78 KDM4E (0.54) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27442712 0.78 TOP2A (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27443095 0.78 KDM4E (0.52) KDM4EALDH1A1TOP2ATOP2BLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138292-A1 NOVEL PHENYLQUINOLONE COMPOUND HAVING ANTIBACTERIAL AND ANTICANCER FUNCTIONS, AND PREPARATION THEREOF 深圳阿尔法分子科技有限责任公司 2024-07-04 WO disclosed