SCHEMBL10631361

SCHEMBL10631361

Cc1c(Cl)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.61
▸ TOP2B Q02880 8/20 0.61
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ KCNH2 Q12809 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PRKD3 O94806 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL6217925 0.89 TOP2A (0.61) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10330765 0.88 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6217009 0.85 ALDH1A1 (0.60) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10927140 0.85 TOP2A (0.45) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10875671 0.84 TOP2A (0.54) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10625970 0.83 TOP2A (0.61) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL6171288 0.83 TOP2A (0.58) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10330766 0.83 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL3136282 0.83 TOP2A (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9149649 0.83 TOP2A (0.67) 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
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US claimed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 — — EP claimed
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 — — EP disclosed
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