SCHEMBL31316166

SCHEMBL31316166

COc1cc2ccn(C(C)=O)c2cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
S100B P04271 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TFPI2 P48307 1/20 0.43
MAPT P10636 1/20 0.42
TUBB1 Q9H4B7 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
TUBB4A P04350 4/20 0.37
TUBB P07437 4/20 0.37
TUBA3C P0DPH7 4/20 0.37
TUBA1B P68363 4/20 0.37

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
SCHEMBL26683598 0.88 TFPI2 (0.46) S100BALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12068038 0.87 TFPI2 (0.53) NOTUMALDH1A1KDM4EHSD17B10TP53
SCHEMBL25337670 0.82 PIK3CD (0.43) S100BALDH1A1KDM4ETFPI2TUBB1
SCHEMBL20977900 0.82 NOTUM (0.46) NOTUMALDH1A1KDM4EHSD17B10TP53
SCHEMBL29833060 0.80 TFPI2 (0.38) S100BALDH1A1KDM4EHSD17B10TP53
SCHEMBL14115781 0.79 NOTUM (0.44) NOTUMALDH1A1KDM4EHSD17B10TP53
SCHEMBL31316159 0.78 TDP1 (0.47) NOTUMALDH1A1KDM4EHSD17B10TP53
SCHEMBL31316141 0.73 TUBB1 (0.62) NOTUMALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28550833 0.73 TUBB1 (0.62) NOTUMALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28409121 0.73 MTNR1A (0.55) NOTUMALDH1A1KDM4EHSD17B10TP53

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
CN-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 CN disclosed