SCHEMBL14397339

SCHEMBL14397339

COC(=O)c1cc(Cc2cc(Cc3ccc(NS(=O)(=O)c4ccc(C)cc4)c(C(=O)O)c3)cc(C(=O)O)c2Nc2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 7/20 0.48
▸ CYP2C9 P11712 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BCL2A1 Q16548 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13034736 0.94 METAP2 (0.53) METAP2CYP2C9CYP1A2PTGDR2FFAR4
SCHEMBL13034755 0.88 METAP2 (0.61) METAP2CYP2C9CYP1A2PTGDR2FFAR4
SCHEMBL13034754 0.83 FFAR4 (0.60) METAP2CYP2C9CYP1A2PTGDR2FFAR4
SCHEMBL14087834 0.81 METAP2 (0.70) METAP2CYP2C9CYP1A2PTGDR2KMT2A
SCHEMBL13034756 0.81 FFAR4 (0.52) METAP2CYP2C9CYP1A2PTGDR2FFAR4
SCHEMBL13034766 0.80 METAP2 (0.62) METAP2CYP2C9CYP1A2PTGDR2LMNA
SCHEMBL13034757 0.79 METAP2 (0.60) METAP2CYP2C9CYP1A2PTGDR2KMT2A
SCHEMBL14075202 0.76 METAP2 (0.62) METAP2CYP2C9CYP1A2PTGDR2KMT2A
SCHEMBL3980105 0.76 METAP2 (0.81) METAP2CYP2C9CYP1A2PTGDR2LMNA
SCHEMBL13034765 0.73 LMNA (0.60) METAP2CYP2C9CYP1A2PTGDR2KMT2A

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
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 — — WO disclosed
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