SCHEMBL18331684

SCHEMBL18331684

CC(=O)N1CCC(c2cc3c(cc2C)cc(C(=O)/C(C#N)=C/N(C)C)n3S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.40
▸ SOS1 Q07889 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ KDM1A O60341 6/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30

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
SCHEMBL18332279 0.91 ALOX5 (0.39) ALOX5NOD2NOD1HPGDPTGDR2
SCHEMBL18332169 0.90 ALOX5 (0.38) ALOX5NOD2NOD1HPGDPTGDR2
SCHEMBL16188501 0.83 ALOX5 (0.39) ALOX5NOD2NOD1KDM1AHPGD
SCHEMBL10002783 0.83 ALOX5 (0.39) ALOX5NOD2NOD1KDM1AHPGD
SCHEMBL10002784 0.83 ALOX5 (0.39) ALOX5NOD2NOD1KDM1AHPGD
SCHEMBL18332221 0.82 HRH3 (0.39) ALOX5NOD2NOD1HPGDPTGDR2
SCHEMBL18331686 0.82 ALOX5 (0.40) ALOX5SOS1NOD2NOD1KDM1A
SCHEMBL10003558 0.81 GPR119 (0.42) ALOX5
SCHEMBL16188499 0.81 GPR119 (0.42) ALOX5
SCHEMBL11931671 0.81 HRH3 (0.39) ALOX5NOD2NOD1HPGDPTGDR2

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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