SCHEMBL21477589

SCHEMBL21477589

CC(C)c1cc2ncsc2nn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL14437972 0.74 ALDH1A1 (0.31) ALDH1A1HSD17B10
SCHEMBL21477592 0.71
SCHEMBL22758276 0.69 PIK3CD (0.32)
SCHEMBL13557977 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL12940671 0.69 ALDH1A1 (0.36) ALDH1A1HSD17B10
SCHEMBL24835656 0.69 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL17132577 0.66 IRAK4 (0.34)
SCHEMBL19131126 0.65 TNF (0.33)
SCHEMBL17132581 0.65 ALDH1A1 (0.41) ALDH1A1HSD17B10
SCHEMBL17265834 0.65 ALDH1A1 (0.37) ALDH1A1HSD17B10

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
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP disclosed