SCHEMBL9524145

SCHEMBL9524145

O=C(O)c1c[nH]c2c(CCF)c(N3CC4NC4C3)c(CCF)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.36
CSNK2A2 P19784 4/20 0.36
CSNK2B P67870 4/20 0.36
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
DNA2 P51530 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.31
MDH2 P40926 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
FLT4 P35916 1/20 0.31

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
SCHEMBL9522706 0.73 KDM4E (0.39) CSNK2A1CSNK2A2CSNK2BKDM4EHPGD
SCHEMBL11025809 0.69 MAPKAPK3 (0.45) CSNK2A1ALDH1A1PIM1CDK2FLT4
SCHEMBL11022445 0.69 KDM4E (0.55) KDM4EHPGDALDH1A1CYP1A2HSD17B10
SCHEMBL10867508 0.68 ALDH1A1 (0.47) CSNK2A1CSNK2A2CSNK2BKDM4EHPGD
SCHEMBL10867795 0.67 KDM4E (0.36) CSNK2A1CSNK2A2CSNK2BKDM4EHPGD
Water SCHEMBL29402051 0.67 CSNK2A2 (0.45) CSNK2A1CSNK2A2CSNK2BKDM4EHPGD
SCHEMBL11116041 0.67 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL10768051 0.66 KDM4E (0.43) CSNK2A1CSNK2A2CSNK2BKDM4EHPGD
SCHEMBL10755284 0.66 KCNH2 (0.42) KDM4EHPGDALDH1A1CYP1A2HSD17B10
SCHEMBL10753255 0.65 ALDH1A1 (0.41) KDM4EHPGDALDH1A1HSD17B10PIM1

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-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed