SCHEMBL22854580

SCHEMBL22854580

CNC(=O)CN1C(=O)COCC1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.36
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
P2RX7 Q99572 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
SCHEMBL22833754 0.81 BRD4 (0.36) GAASMN1; SMN2P2RX7
SCHEMBL22854583 0.81 SIGMAR1 (0.41) GAAPOLBSMN1; SMN2TSHR
SCHEMBL19357477 0.75 PLK1 (0.34) PLK1GAAHTTPOLBTSHR
SCHEMBL23328829 0.70 PIK3CD (0.45) POLB
SCHEMBL15137757 0.67 NOTUM (0.30)
SCHEMBL9654559 0.67 GBA1 (0.41) GAAPOLB
SCHEMBL23123714 0.66 NAAA (0.32)
SCHEMBL23123431 0.66 NAAA (0.32)
SCHEMBL1189963 0.66 P2RX7 (0.46) P2RX7
SCHEMBL24391192 0.65 MAPT (0.35) GAAHTTPOLBSMN1; SMN2P2RX7

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-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 WO disclosed