SCHEMBL31310191

SCHEMBL31310191

COC(=O)c1cc(C)nc(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 4/20 0.44
BACE1 P56817 1/20 0.44
KMT2A Q03164 1/20 0.43
NQO2 P16083 2/20 0.43
GAA P10253 3/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL25360994 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL535539 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBL3MBTL1
SCHEMBL26040460 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31039239 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBL3MBTL1
SCHEMBL29076894 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1890350 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31264177 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL12647217 0.79 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31310092 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL31447313 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120476110-B Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed