SCHEMBL28075064

SCHEMBL28075064

C=CC(=O)OC(C)(C)Cc1cscn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL27997582 0.81 MAPK1 (0.36) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL27663425 0.73 NPSR1 (0.33) NPSR1ALDH1A1
SCHEMBL27763466 0.70 MAPK1 (0.39) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL19031974 0.70 ALOX5AP (0.41) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL21215959 0.70 KDM4E (0.37) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL21216015 0.69 MAPK1 (0.36) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL21197694 0.69 MAPK1 (0.36) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL73421 0.69 ALDH1A1 (0.41) MAPK1NPSR1PKMGPR119KDM4C
SCHEMBL3248705 0.68 CYP3A4 (0.54) ALDH1A1LMNASMN1; SMN2
Lithium Ion SCHEMBL21197693 0.68 MAPK1 (0.35) MAPK1NPSR1PKMGPR119KDM4C

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-105611923-A Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORP 2016-05-25 — — CN disclosed
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