SCHEMBL18332121

SCHEMBL18332121

Cc1ccc(S(=O)(=O)n2c(C(=O)/C(C#N)=C/N)cc3cc(C4CCN(C(C)C)CC4)c(F)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NOD2 Q9HC29 2/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ F10 P00742 3/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ KDM1A O60341 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL11931671 0.91 HRH3 (0.39) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL10003201 0.91 HRH3 (0.39) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL10003199 0.91 HRH3 (0.39) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL18332221 0.88 HRH3 (0.39) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL10004537 0.84 HRH3 (0.41) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL16188501 0.82 ALOX5 (0.39) ALOX5PTGDR2NOD2NOD1KCNH2
SCHEMBL10002783 0.82 ALOX5 (0.39) ALOX5PTGDR2NOD2NOD1KCNH2
SCHEMBL10002784 0.82 ALOX5 (0.39) ALOX5PTGDR2NOD2NOD1KCNH2
SCHEMBL10004907 0.81 HRH3 (0.38) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL11929892 0.81 HRH3 (0.38) HRH3ALOX5LMNAGAAPTGDR2

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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