SCHEMBL19984975

SCHEMBL19984975

NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nnc(-c2cnccn2)o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRHR P34981 3/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
BMP1 P13497 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL19984831 0.76 LRRK2 (0.35) TNKSPARP1PARP2ALDH1A1
SCHEMBL19866357 0.72 CD274 (0.52)
SCHEMBL18078725 0.72 CD274 (0.52)
SCHEMBL19984824 0.70 HDAC6 (0.34)
SCHEMBL19984850 0.69 HDAC6 (0.40) MAPT
SCHEMBL19973940 0.66 MAPK1 (0.33)
SCHEMBL19973939 0.66 MAPK1 (0.33)
SCHEMBL19984980 0.62 PIEZO1 (0.38) TNKSPARP1PARP2MAPTALDH1A1
SCHEMBL19984811 0.61 KDM4E (0.43) L3MBTL1ALDH1A1
SCHEMBL13269916 0.60 TRHR (0.48) TRHR

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