SCHEMBL28043182

SCHEMBL28043182

CC(C)(C)NC(=O)Oc1nc(CN=[N+]=[N-])cs1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ HPGD P15428 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
SCHEMBL28366125 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL27815518 0.81 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL27810288 0.81 PTPRB (0.36) ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL27924510 0.80 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL28043189 0.80 KCNH2 (0.35) ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL27760330 0.79 PTPRB (0.39) ALDH1A1GAASMN1; SMN2
SCHEMBL27812400 0.79 GAA (0.33) ALDH1A1GAASMN1; SMN2
SCHEMBL16123392 0.75 SIRT1 (0.45) ALDH1A1SMN1; SMN2HPGD
SCHEMBL21747566 0.74 GRM5 (0.33) ALDH1A1GAA
SCHEMBL27703575 0.72 KDM1A (0.38) ALDH1A1GAASMN1; SMN2

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-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 — — CN disclosed
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