SCHEMBL28947867

SCHEMBL28947867

C=CC(c1ccc(C#N)nc1)S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.50
▸ F13A1 P00488 2/20 0.40
▸ TGM2 P21980 2/20 0.40
▸ TGM1 P22735 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ STS P08842 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38

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
SCHEMBL27984560 0.84 GPR119 (0.41) GPR119F13A1TGM2TGM1NPC1
SCHEMBL27984923 0.83 GPR119 (0.41) GPR119F13A1TGM2TGM1JAK2
SCHEMBL27587919 0.81 NPC1 (0.56) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL27572305 0.81 MMP13 (0.51) GPR119F13A1TGM2TGM1NPC1
SCHEMBL27587914 0.81 NPC1 (0.45) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL28750646 0.79 GPR119 (0.50) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL27587902 0.79 MMP13 (0.48) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL16820355 0.79 GPR119 (0.56) GPR119STS
SCHEMBL12489357 0.74 GPR119 (0.60) GPR119JAK2JAK1
SCHEMBL29980570 0.74 GPR119 (0.60) GPR119JAK2JAK1

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
CN-104507936-A Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives FORMA TM LLC 2015-04-08 — — CN disclosed
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