SCHEMBL28512110

SCHEMBL28512110

NC(=O)OCCOc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RECQL P46063 1/20 0.54
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PARP10 Q53GL7 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PRSS1 P07477 1/20 0.44
HTT P42858 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29283274 0.89 LSS (0.48) MEN1KMT2ASMN1; SMN2PRSS1HTT
SCHEMBL28993960 0.83 NPC1 (0.50) MEN1KMT2ALMNAPARP10MAPT
SCHEMBL28675818 0.83 PARP10 (0.49) LMNAPARP10PRSS1
SCHEMBL25350769 0.82 APP (0.55) MEN1KMT2ALMNAPARP10MAPT
SCHEMBL881472 0.81 L3MBTL1 (0.58) MEN1KMT2AL3MBTL1PARP10MAPT
SCHEMBL5703994 0.81 PARP10 (0.47) MEN1KMT2ALMNAPARP10MAPT
SCHEMBL4763622 0.81 MEN1 (0.56) MEN1KMT2ARECQLLMNAL3MBTL1
SCHEMBL16502888 0.81 MEN1 (0.54) MEN1KMT2ALMNAL3MBTL1PARP10
SCHEMBL6677595 0.81 PARP10 (0.65) MEN1KMT2ARECQLLMNAPARP10
SCHEMBL17466900 0.80 MEN1 (0.59) MEN1KMT2ARECQLLMNAL3MBTL1

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-115298182-A Fused pyrimidine compounds as KCC2 modulators 阿斯利康(瑞典)有限公司 2022-11-04 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed