SCHEMBL25399467

SCHEMBL25399467

CC(O)CCC(C)Oc1ccc(N)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CPB2 Q96IY4 1/20 0.35
MCHR1 Q99705 1/20 0.34
ACACB O00763 4/20 0.33
ACACA Q13085 2/20 0.33
ABL1 P00519 2/20 0.33
LTA4H P09960 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL25399464 1.00 MPO (0.36) MPOTPOEPXLPONOS3
SCHEMBL13075015 0.80 MCHR1 (0.45) MPOTPOEPXLPONOS3
SCHEMBL1000603 0.77 NOS3 (0.46) MPOTPOEPXLPONOS3
SCHEMBL25399938 0.77 MAPT (0.41) ABL1
SCHEMBL25399932 0.77 MAPT (0.41) ABL1
SCHEMBL18291374 0.76 MCHR1 (0.38) MPOTPOEPXLPONOS3
Hydrochloric Acid SCHEMBL710140 0.76 NOS3 (0.45) MPOTPOEPXLPONOS3
SCHEMBL6469100 0.70 CPB2 (0.48) NOS3NOS2CPB2GABRPGABRD
SCHEMBL31133282 0.69 LMNA (0.48) MPOTPOEPXLPONOS3
SCHEMBL30473736 0.69 NOS3 (0.38) MPOTPOEPXLPONOS3

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-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed