SCHEMBL9529665

SCHEMBL9529665

O=c1cc[nH]c2c(F)c(N3CCCCC3)c(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.35
▸ IP6K1 Q92551 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ CFB P00751 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ MAPT P10636 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
SCHEMBL1886773 0.75 CCR8 (0.52) CCR8KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL9569229 0.73 CCR8 (0.30) CCR8
SCHEMBL9262366 0.73 KDM4E (0.46) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL21050882 0.71 CCR8 (0.47) CCR8KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL9569212 0.71 — —
SCHEMBL29431923 0.70 ALK (0.38) KMT2AHSD17B10HPGDKDM4EALDH1A1
SCHEMBL29974781 0.64 CCR8 (0.46) CCR8KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL21050814 0.64 CCR8 (0.46) CCR8KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL240017 0.62 CA12 (0.44) KMT2AHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL10587891 0.61 ALDH1A1 (0.55) CCR8KMT2AHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533904-A1 NOVEL DIFLUORINATED QUINOLONES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME BOUCHARA S.A. (FR) 1993-03-31 — — EP disclosed
WO-1992018497-A1 NOVEL DIFLUORINATED QUINOLONES, THEIR PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME BOUCHARA S.A. (FR) 1992-10-29 — — WO disclosed
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