SCHEMBL21063598

SCHEMBL21063598

O=C(O)c1cn(C2CNC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 2/20 0.45
▸ KDM5A P29375 4/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.31
▸ CPB2 Q96IY4 3/20 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
Trifluoroacetic Acid SCHEMBL21063623 0.91 KDM2B (0.40) KDM2BKDM5AKDM4AKDM4CKDM5B
SCHEMBL16268981 0.84 KDM5A (0.44) KDM2BKDM5AKDM4AKDM4CKDM5B
SCHEMBL13406413 0.83 KDM2B (0.49) KDM2BKDM5AKDM4AKDM4CKDM5B
SCHEMBL12985681 0.81 CDK5 (0.48) KDM2BKDM5ACDK5CDK5R1CPB1
SCHEMBL2331925 0.81 CPB2 (0.45) KDM2BKDM5AKDM4ECDK5CDK5R1
SCHEMBL28070514 0.79 CPB2 (0.44) KDM2BKDM5AKDM4ECDK5CDK5R1
Hydrochloric Acid SCHEMBL12985270 0.79 CDK5 (0.47) KDM2BKDM5ACDK5CDK5R1CPB1
SCHEMBL2327699 0.79 CPB2 (0.47) KDM2BKDM5AKDM4ECDK5CDK5R1
SCHEMBL21098465 0.78 KDM5A (0.41) KDM2BKDM5AKDM4AKDM4CKDM5B
SCHEMBL2330015 0.77 GSK3B (0.43) KDM2BKDM5AKDM4AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
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