SCHEMBL5133700

SCHEMBL5133700

CCOC(=O)c1c[nH]c2c(OCBr)cccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLEC4M Q9H2X3 1/20 0.71
▸ KDM4E B2RXH2 3/20 0.63
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ GABRA1 P14867 3/20 0.51
▸ GABRB2 P47870 3/20 0.51
▸ GABRB1 P18505 2/20 0.51
▸ GABRA3 P34903 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 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
SCHEMBL10878556 0.88 CLEC4M (0.71) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL774558 0.86 CLEC4M (0.76) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8133190 0.85 KDM4E (0.72) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6692156 0.85 CLEC4M (0.67) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL21101401 0.83 CLEC4M (0.78) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8132372 0.82 KDM4E (0.71) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL28287784 0.82 CLEC4M (0.82) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL11195138 0.81 CLEC4M (0.76) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL22492440 0.81 CLEC4M (0.80) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1244789 0.81 CLEC4M (0.80) CLEC4MKDM4ECYP1A2CYP3A4CYP2C19

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-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 — — EP disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
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