SCHEMBL9720541

SCHEMBL9720541

O=C(O)c1cn(C2CC2)c2cc(Br)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ TOP2A P11388 4/20 0.64
▸ TOP2B Q02880 4/20 0.64
▸ LMNA P02545 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ MAPT P10636 1/20 0.60
▸ PIK3CG P48736 6/20 0.56
▸ PIK3CD O00329 5/20 0.56
▸ PIK3R1 P27986 5/20 0.56
▸ PIK3CA P42336 5/20 0.56
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL29442121 0.89 KDM4E (0.69) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL501238 0.89 KDM4E (0.69) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27976811 0.89 KDM4E (0.59) KDM4EALDH1A1TOP2ATOP2BLMNA
Fluoride SCHEMBL5143436 0.87 KDM4E (0.66) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL5143438 0.86 KDM4E (0.65) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL4299077 0.86 KDM4E (0.65) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10875970 0.85 KDM4E (0.64) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL2108243 0.85 ALDH1A1 (0.64) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10330778 0.85 KDM4E (0.64) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL4145110 0.85 KDM4E (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 — — US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 — — US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 — — EP disclosed
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