SCHEMBL7745148

SCHEMBL7745148

COc1c(C2(N3C[C@@H](N)CCC3(C)C)CC2)ccc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CSNK2A2 P19784 3/20 0.37
▸ CSNK2B P67870 3/20 0.37
▸ CSNK2A1 P68400 3/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 1/20 0.33
▸ TET2 Q6N021 1/20 0.33
▸ TET1 Q8NFU7 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ MATK P42679 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MAPKAPK3 Q16644 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL7745145 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL9569209 0.68 HPGD (0.46) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL1007181 0.65 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL4460735 0.65 KCNH2 (0.60) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL1629770 0.65 KDM4E (0.37) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL9569233 0.65 HPGD (0.43) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL9569237 0.65 HPGD (0.50) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL9569226 0.64 KDM4E (0.43) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL1556635 0.63 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL1558105 0.63 ALDH1A1 (0.37) KDM4EALDH1A1HPGDCSNK2A2CSNK2B

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
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 — — US claimed
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