SCHEMBL23217968

SCHEMBL23217968

CC(C)(C)OC(=O)NCCOc1cnc2ccc(C=O)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PDK2 Q15119 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
LATS1 O95835 1/20 0.38
BCHE P06276 1/20 0.38
SCN9A Q15858 1/20 0.38
NQO2 P16083 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL23217974 0.85 CA12 (0.43) KDM4EPOLBCA12CA1CA2
SCHEMBL23217960 0.83 CA12 (0.47) KDM4EPOLBCA12CA1CA2
SCHEMBL29606964 0.82 CA12 (0.48) KDM4EPOLBCA12CA1CA2
SCHEMBL18544334 0.78 CA12 (0.55) KDM4EPOLBCA12CA1CA2
SCHEMBL18544318 0.77 ALDH1A1 (0.50) KDM4EPOLBCA12CA1CA2
SCHEMBL17687960 0.77 PIM2 (0.44) CA12CA1CA2CA9PDK2
SCHEMBL14829606 0.76 MEN1 (0.39) KDM4EL3MBTL1
SCHEMBL23217900 0.76 GABRA5 (0.38) KDM4EPOLBCA12CA1CA2
SCHEMBL14829627 0.75 FDPS (0.43) KDM4ECYP2D6CYP2C19NPC1RAB9A
SCHEMBL3361899 0.75 CA12 (0.64) CA12CA1CA2CA9PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed