SCHEMBL9840423

SCHEMBL9840423

O=C(O)C1C(=O)c2cc(F)c(N3CC4CC4C3)cc2N(C2CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TOP2A P11388 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TOP2B Q02880 1/20 0.32
MAPT P10636 1/20 0.31
BBOX1 O75936 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30

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
SCHEMBL4365445 0.68 KEAP1 (0.35) TOP2ATOP2BBBOX1ASPHKDM8
SCHEMBL5546400 0.67 ALDH1A1 (0.38) KDM4EALDH1A1TOP2ALMNAHPGD
SCHEMBL3816673 0.67 KCNH2 (0.34) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9184531 0.65 KDM4E (0.72) KDM4EALDH1A1TOP2ALMNAHPGD
SCHEMBL9717143 0.65 DRD3 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL17775397 0.64 TOP2A (0.42) KMT2AKDM4EALDH1A1TOP2ALMNA
SCHEMBL8802209 0.63 TOP1 (0.31)
SCHEMBL16329562 0.63 TOP2A (0.55) KDM4EALDH1A1TOP2ALMNAHPGD
SCHEMBL22015414 0.62 TOP2A (0.44) MEN1KMT2AKDM4EALDH1A1TOP2A
SCHEMBL8775559 0.61 TOP2A (0.35) TOP2A

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-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed