SCHEMBL10003849

SCHEMBL10003849

CCOC(=O)c1c(I)c2cc(C3CCN(C)CC3)c(F)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NOD2 Q9HC29 3/20 0.41
▸ NOD1 Q9Y239 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL11905000 0.82 NOD2 (0.56) TSHRLMNAKDM4EL3MBTL1CYP2C9
SCHEMBL10004969 0.73 NOD2 (0.54) TSHRLMNAKDM4EL3MBTL1NOD2
SCHEMBL10003723 0.71 NOD2 (0.56) TSHRLMNAKDM4EL3MBTL1NOD2
SCHEMBL10003940 0.70 NOD2 (0.51) TSHRLMNAKDM4EL3MBTL1NOD2
SCHEMBL10003089 0.70 PTGDR2 (0.39) TSHRLMNAKDM4EL3MBTL1CYP2C9
SCHEMBL10002916 0.70 NOD2 (0.62) TSHRLMNAKDM4EL3MBTL1CYP2C9
SCHEMBL2005697 0.67 NOD2 (0.53) TSHRKDM4ECYP2C9NOD2NOD1
SCHEMBL31332525 0.67 KMT2A (0.50) TSHRLMNAKDM4EL3MBTL1CYP2C9
SCHEMBL11905170 0.66 NOD2 (0.56) TSHRLMNAKDM4EL3MBTL1CYP2C9
SCHEMBL10002784 0.65 ALOX5 (0.39) KDM4ECYP2C9NOD2NOD1PTGDR2

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-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP disclosed
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