SCHEMBL26668641

SCHEMBL26668641

COc1ccnc(OCCCNC(=O)O)c1-c1ccno1.COc1ccnc(OS(=O)(=O)C(F)(F)F)c1-c1ccno1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
CHEK1 O14757 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
AXL P30530 2/20 0.31
AURKA O14965 1/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
HPGD P15428 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GLA P06280 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24936306 0.85 MAPT (0.35)
SCHEMBL29827219 0.80 KCNH2 (0.52) KCNH2AXL
SCHEMBL24936185 0.80 KCNH2 (0.52) KCNH2AXL
SCHEMBL26668640 0.79
SCHEMBL18955276 0.78 CYP1A2 (0.43) HPGDHSD17B10ALDH1A1L3MBTL1
SCHEMBL26668645 0.77 ALDH1A1 (0.35) KCNH2CHEK1TRPV1AURKALCK
SCHEMBL29045194 0.73 CYP1A2 (0.35) CHEK1
SCHEMBL29045183 0.69 MTNR1A (0.41) KCNH2AURKALCKKDRTEK
SCHEMBL24936246 0.69 KCNH2 (0.43) KCNH2AXL
SCHEMBL19007376 0.68 DRD2 (0.45) KCNH2AXL

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