SCHEMBL9569237

SCHEMBL9569237

COc1c(N2CCC(=O)CC2)ccc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ CSNK2A2 P19784 3/20 0.45
▸ CSNK2B P67870 3/20 0.45
▸ CSNK2A1 P68400 3/20 0.45
▸ HSD17B10 Q99714 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ KCNH2 Q12809 2/20 0.42
▸ TET2 Q6N021 1/20 0.40
▸ TET1 Q8NFU7 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ DNA2 P51530 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ TSHR P16473 2/20 0.36

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
SCHEMBL9569200 0.89 HPGD (0.46) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL9569241 0.85 HPGD (0.45) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL9569209 0.81 HPGD (0.46) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL9569233 0.77 HPGD (0.43) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL9569226 0.77 KDM4E (0.43) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL16011743 0.71 KDM4E (0.42) HPGDKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL9569240 0.68 KDM4E (0.41) HPGDKDM4EALDH1A1HSD17B10KCNH2
SCHEMBL7509122 0.67 KDM4E (1.00) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL30353212 0.66 ALDH1A1 (0.97) HPGDKDM4EALDH1A1CSNK2A2CSNK2B
Ammonia Solution, Strong SCHEMBL28187483 0.66 ALDH1A1 (0.97) HPGDKDM4EALDH1A1CSNK2A2CSNK2B

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
EP-0541086-A1 Antibacterial 6-fluoro-quinolones having an oxime group on the substituent in position 7 Kaken Pharmaceutical Co., Ltd. (JP) 1993-05-12 — — EP disclosed
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