SCHEMBL8133190

SCHEMBL8133190

CCOC(=O)c1c[nH]c2c(OCC(F)(F)F)cccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.72
▸ CLEC4M Q9H2X3 1/20 0.67
▸ MAPT P10636 1/20 0.53
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ GABRA1 P14867 3/20 0.46
▸ GABRB2 P47870 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ GABRB1 P18505 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ GUCY1A1 Q02108 1/20 0.44
▸ GUCY1B1 Q02153 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL8132372 0.86 KDM4E (0.71) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL10878556 0.85 CLEC4M (0.71) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL5133700 0.85 CLEC4M (0.71) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL4742144 0.84 KDM4E (1.00) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL774558 0.83 CLEC4M (0.76) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL6692156 0.82 CLEC4M (0.67) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL1126279 0.80 CLEC4M (0.78) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL28287784 0.80 CLEC4M (0.82) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL22492440 0.78 CLEC4M (0.80) KDM4ECLEC4MMAPTCYP1A2CYP3A4
SCHEMBL1244789 0.78 CLEC4M (0.80) KDM4ECLEC4MMAPTCYP1A2CYP3A4

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-1009748-A1 3-ALKYLPYRROLO 3,2-$i(c)]QUINOLINE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 2000-06-21 — — EP disclosed
WO-2000001696-A1 3-ALKYLPYRROLO[3,2-c]QUINOLINE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-13 — — WO disclosed
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