SCHEMBL28397646

SCHEMBL28397646

CC(C)(C)NC(=O)c1cc2c(s1)SC(C)(C)CC2=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28348917 0.80 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL28348491 0.78 KDM4E (0.31) ALDH1A1
SCHEMBL28368246 0.76 GSK3B (0.41) ALDH1A1
SCHEMBL28348392 0.72 HRH4 (0.48) ALDH1A1LMNA
SCHEMBL14915069 0.68 HPGD (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL28397526 0.67 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2
SCHEMBL28394817 0.67 TP53 (0.40) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL28400024 0.66 LMNA (0.43) ALDH1A1LMNA
SCHEMBL28391828 0.66 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL28401171 0.66 LMNA (0.45) ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN claimed
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN disclosed