SCHEMBL19969059

SCHEMBL19969059

NCc1nnc([C@@H](N)CC(=O)O)o1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRR1 P24046 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
LMNA P02545 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CTSA P10619 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
SCHEMBL20170535 0.88 PKM (0.36) NOTUM
SCHEMBL20170522 0.88 PKM (0.36) NOTUM
SCHEMBL20170529 0.78 NOTUM (0.39) NOTUM
SCHEMBL20170530 0.70 VSIR (0.34) NOTUMMAPTL3MBTL1
SCHEMBL19969084 0.70 ALDH1A1 (0.56) NOTUMMAPTL3MBTL1
SCHEMBL3825307 0.70 NOTUM (0.41) NOTUMHDAC8
SCHEMBL19969069 0.68 VSIR (0.33) NOTUMGABRR1LMNA
SCHEMBL18078731 0.65 GAA (0.51) NOTUMMAPTL3MBTL1HDAC8LMNA
SCHEMBL13550164 0.64 S1PR1 (0.33) LMNACTSA
SCHEMBL3822232 0.62 NOTUM (0.37) NOTUM

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-2018047139-A1 COMPOUNDS AS MODULATORS OF TIGIT SIGNALLING PATHWAY AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed