SCHEMBL29040320

SCHEMBL29040320

COc1ccc(-c2n[c]on2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.49
SMN1; SMN2 Q16637 9/20 0.48
NPC1 O15118 8/20 0.48
RAB9A P51151 7/20 0.48
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 7/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL570816 0.79 CLK4 (0.48) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL5551741 0.77 DYRK1A (0.56) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL28752915 0.76 MAPT (0.44) SMN1; SMN2KDM4EHSD17B10TSHRMAPT
SCHEMBL15553105 0.75 CYP1A1 (0.42) SMN1; SMN2NPC1RAB9AKDM4ETSHR
SCHEMBL27608325 0.74 CA1 (0.37) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL7616076 0.73 ALDH1A1 (0.58) PDE4ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL27589989 0.72 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EHSD17B10
SCHEMBL8840880 0.72 PDE4A (0.67) PDE4ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2207084 0.72 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL28713706 0.71 CHRNB2 (0.38) SMN1; SMN2NPC1RAB9AHSD17B10MAPT

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed