SCHEMBL30148645

SCHEMBL30148645

COc1ncc(NC(=O)O)cc1CC(=O)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ECE2 P0DPD6 1/20 0.36

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
SCHEMBL24804839 0.88 POLB (0.39) POLBKMT2AMEN1HTTKDM4E
SCHEMBL30148709 0.85 NR1I3 (0.38) POLBHTTKDM4EALDH1A1NPC1
SCHEMBL24804845 0.85 NR1I3 (0.38) POLBHTTKDM4EALDH1A1NPC1
SCHEMBL24802443 0.84 POLB (0.48) POLBKMT2AMEN1KDM4EHPGD
SCHEMBL24804840 0.80 GAA (0.44) POLBKDM4EHPGDALDH1A1NPC1
SCHEMBL30148613 0.78 MEN1 (0.37) KMT2AMEN1KDM4ERAB9AL3MBTL1
SCHEMBL30148681 0.77 GRIN1 (0.38) POLBKDM4EHPGDALDH1A1RAB9A
SCHEMBL29180831 0.76 HPGD (0.39) POLBKDM4EHPGDALDH1A1RAB9A
SCHEMBL28941013 0.72 MEN1 (0.40) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL24804852 0.71 POLB (0.36) POLBKMT2AMEN1HTTKDM4E

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-2022268209-A1 DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF 四川汇宇制药股份有限公司 2022-12-29 WO disclosed