SCHEMBL27445406

SCHEMBL27445406

O=C(O)c1cn(C2CC2)c2nc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.50
TOP2B Q02880 7/20 0.50
LMNA P02545 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 6/20 0.46
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
ABCC4 O15439 1/20 0.42
CYP3A4 P08684 1/20 0.41
CHRM2 P08172 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL7006784 0.82 TOP2A (0.46) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL30944925 0.80 TOP2A (0.46) TOP2ATOP2BLMNAKDM4EHSD17B10
SCHEMBL7009246 0.79 DPP4 (0.49) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL311935 0.77 LMNA (0.68) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL7010564 0.74 TOP2A (0.50) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL4298980 0.74 TOP2A (0.50) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL4296126 0.74 TOP2A (0.50) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL9731512 0.74 TOP2A (0.48) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL11020192 0.74 LMNA (0.64) TOP2ATOP2BLMNAKDM4EALDH1A1
SCHEMBL27443540 0.74 TOP2A (0.55) TOP2ATOP2BLMNAKDM4EALDH1A1

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