SCHEMBL19984824

SCHEMBL19984824

CCCCS(=O)(=O)N[C@@H](CC(N)=O)c1nnc(-c2cnccn2)o1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.34
APLNR P35414 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
NAMPT P43490 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TERT O14746 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
SCHEMBL19984850 0.77 HDAC6 (0.40) HDAC6NAMPTCYP2C9CYP2C19
SCHEMBL19866357 0.72 CD274 (0.52) KDM4E
SCHEMBL18078725 0.72 CD274 (0.52) KDM4E
SCHEMBL19984831 0.71 LRRK2 (0.35) HDAC6CYP2C9CYP2C19
SCHEMBL19984975 0.70 TRHR (0.36)
SCHEMBL19973939 0.70 MAPK1 (0.33) KDM4E
SCHEMBL19973940 0.70 MAPK1 (0.33) KDM4E
SCHEMBL19984848 0.68 ALDH1A1 (0.43)
SCHEMBL24058711 0.68 VSIR (0.53)
SCHEMBL18078188 0.68 VSIR (0.53)

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
WO-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed