SCHEMBL18332388

SCHEMBL18332388

COC(=O)c1cc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ GPR119 Q8TDV5 9/20 0.41
▸ STS P08842 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL18332161 0.92 GPR119 (0.47) MMP13EPHX2GPR119STSKMT2A
SCHEMBL18331685 0.89 NOD2 (0.44) KMT2ANOD2NOD1ALOX5MEN1
SCHEMBL18332392 0.85 NOD2 (0.44) KMT2ANOD2NOD1ALOX5MEN1
SCHEMBL18332173 0.84 NOD2 (0.43) KMT2ANOD2NOD1ALOX5MEN1
SCHEMBL18331687 0.83 NOD2 (0.45) NOD2NOD1ALOX5
SCHEMBL10003940 0.82 NOD2 (0.51) MMP13GPR119KMT2ANOD2NOD1
SCHEMBL10003000 0.81 NOD2 (0.49) MMP13GPR119KMT2ANOD2NOD1
SCHEMBL18332395 0.81 HTR6 (0.49) GPR119KMT2ANOD2NOD1SCN9A
SCHEMBL10003307 0.79 NOD2 (0.55) MMP13GPR119KMT2ANOD2NOD1
SCHEMBL18331705 0.77 NOD1 (0.47) KMT2ANOD2NOD1ALOX5MEN1

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-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
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