SCHEMBL25757594

SCHEMBL25757594

COc1c(N)ccn2ncc(CC(N)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
PIK3CG P48736 1/20 0.33
ICMT O60725 1/20 0.33
MAPT P10636 2/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32

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
Hydrochloric Acid SCHEMBL27199601 0.99 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL27199546 0.85 NPBWR1 (0.33) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL25756945 0.80 DHFR (0.38) ALDH1A1KDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL27199305 0.76 RET (0.31)
SCHEMBL25757108 0.76 MAPT (0.45) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL25759121 0.75 SMPD3 (0.35) ALDH1A1HSD17B10GAAPIK3CGMAPT
Hydrochloric Acid SCHEMBL27199689 0.75 MAPT (0.44) ALDH1A1KDM4ELMNAHSD17B10GAA
Hydrochloric Acid SCHEMBL27199529 0.74 SMPD3 (0.34) ALDH1A1HSD17B10GAAPIK3CGMAPT
SCHEMBL25757143 0.74 SMPD3 (0.37) ALDH1A1GAATUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL27199419 0.73 SMPD3 (0.36) ALDH1A1PIK3CG

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed