SCHEMBL26668652

SCHEMBL26668652

COc1ccnc(OCCCNC(=O)O)c1-c1cc(N)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
CHEK1 O14757 7/20 0.48
HSD17B10 Q99714 2/20 0.39
DYRK1A Q13627 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AURKA O14965 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
MCHR1 Q99705 1/20 0.34
QPCT Q16769 4/20 0.34
HPGD P15428 1/20 0.33
GAA P10253 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
SCHEMBL24936161 0.88 KCNH2 (0.66) KCNH2CHEK1DYRK1A
SCHEMBL30522667 0.88 KCNH2 (0.66) KCNH2CHEK1DYRK1A
SCHEMBL18955140 0.85 HSD17B10 (0.48) KCNH2CHEK1HSD17B10ALDH1A1L3MBTL1
SCHEMBL26668647 0.85 CHEK1 (0.48) KCNH2CHEK1HSD17B10DYRK1AALDH1A1
SCHEMBL29045170 0.83 CHEK1 (0.47) KCNH2CHEK1HSD17B10DYRK1AGAA
SCHEMBL24936150 0.80 KCNH2 (0.57) KCNH2CHEK1DYRK1A
SCHEMBL25237329 0.76 MCHR1 (0.43) ALDH1A1L3MBTL1MCHR1GAA
SCHEMBL24945078 0.74 KCNH2 (0.51) KCNH2CHEK1
SCHEMBL30522689 0.74 KCNH2 (0.51) KCNH2CHEK1
SCHEMBL19007838 0.73 KCNH2 (0.51) KCNH2CHEK1HSD17B10MCHR1

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-2023229032-A1 THERAPEUTIC FOR CANCER REFRACTORY TO IMMUNE CHECKPOINT INHIBITOR 住友ファーマ株式会社 2023-11-30 WO disclosed