SCHEMBL22925544

SCHEMBL22925544

Brc1ncc(-c2ccc(C3CC3)cn2)o1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP2C9 P11712 1/20 0.32
HDAC4 P56524 1/20 0.32
KDM1A O60341 1/20 0.31
S1PR1 P21453 1/20 0.30
CHRNA7 P36544 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL29620936 1.00 PDE2A (0.33) PDE2AKDM4EGLAHTTKMT2A
SCHEMBL22925977 0.80 CA12 (0.43) KDM4EKMT2ASMN1; SMN2TDP1CYP2C9
SCHEMBL22925741 0.73 CYP1A1 (0.36) KDM4ECYP2C9
SCHEMBL29620857 0.73 CYP1A1 (0.36) KDM4ECYP2C9
SCHEMBL22925543 0.72 ROCK2 (0.40) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29909305 0.69 TRPV6 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1655533 0.69 TRPV6 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29620855 0.69 NPSR1 (0.47) PDE2AKDM4EKMT2AL3MBTL1KDM1A
SCHEMBL22925930 0.69 NPSR1 (0.47) PDE2AKDM4EKMT2AL3MBTL1KDM1A
SCHEMBL23774878 0.67 KDM4E (0.58) KDM4EGLAHTTKMT2ASMN1; SMN2

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
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed