SCHEMBL31264183

SCHEMBL31264183

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
NQO2 P16083 4/20 0.41
ALDH1A1 P00352 7/20 0.41
GAA P10253 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
GLA P06280 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 1/20 0.41
ABL1 P00519 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL143872 1.00 KDM4E (0.46) KDM4EPOLBL3MBTL1NQO2ALDH1A1
SCHEMBL25360994 0.85 KDM4E (0.54) KDM4EPOLBL3MBTL1NQO2ALDH1A1
SCHEMBL26040458 0.83 NQO2 (0.46) KDM4EPOLBL3MBTL1NQO2ALDH1A1
SCHEMBL25208528 0.83 KDM4E (0.44) KDM4EPOLBL3MBTL1NQO2ALDH1A1
SCHEMBL536169 0.83 KDM4E (0.50) KDM4EPOLBNQO2ALDH1A1GAA
SCHEMBL17840704 0.82 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL5203594 0.81 L3MBTL1 (0.43) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL17840559 0.80 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDHSD17B10CFTR
SCHEMBL535621 0.78 KDM4E (0.41) KDM4EPOLBL3MBTL1ALDH1A1GAA
SCHEMBL16336369 0.77 ABL1 (0.45) KDM4EL3MBTL1NQO2ALDH1A1GAA

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
WO-2025007915-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-01-09 WO 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