SCHEMBL9149649

SCHEMBL9149649

O=C(O)c1cn(C2CC2)c2c(F)c(Cl)c(F)cc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 7/20 0.67
▸ TOP2B Q02880 7/20 0.67
▸ ALDH1A1 P00352 5/20 0.62
▸ POLB P06746 2/20 0.62
▸ OPRM1 P35372 2/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ KCNH2 Q12809 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PRKD3 O94806 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL29962586 0.90 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500386 0.90 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL25669903 0.89 ALDH1A1 (0.64) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29463823 0.88 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500719 0.88 TOP2A (0.71) TOP2ATOP2BALDH1A1POLBOPRM1
Fluoride SCHEMBL5143354 0.88 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10625970 0.88 TOP2A (0.61) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511115 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
Potassium SCHEMBL10510827 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10511131 0.87 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110551124-B Quinolone compound or agriculturally and pharmaceutically acceptable salt thereof, and preparation method and application thereof 山东省联合农药工业有限公司 2021-01-08 — — CN disclosed
CN-110551124-A quinolone compound or agriculturally and pharmaceutically acceptable salt thereof, and preparation method and application thereof SHANDONG UNITED PESTICIDE IND CO LTD 2019-12-10 — — CN disclosed
US-5478841-A Fluorinated quinolones, process for their preparation and pharmaceutical preparations containing same BOUCHARA S.A. (FR) 1995-12-26 — — US disclosed
US-5476671-A Skin disorders CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-12-19 — — US disclosed
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