SCHEMBL25759724

SCHEMBL25759724

COC(=O)c1c(Br)c(C)nn1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PRNP P04156 1/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
IKBKB O14920 1/20 0.38
IKBKE Q14164 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL1431561 0.84 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL729060 0.82 L3MBTL1 (0.46) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL24275924 0.81 IKBKB (0.40) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL22257043 0.81 MEN1 (0.36) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL25244879 0.81 KDM4E (0.37) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL9194890 0.81 KDM4E (0.42) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL1359424 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL25970279 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL19555815 0.79 KDM4E (0.41) SMN1; SMN2MEN1KMT2APRNPPOLB
SCHEMBL11272207 0.79 KDM4E (0.45) SMN1; SMN2MEN1KMT2APRNPPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
CN-111362967-B Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2021-09-07 CN disclosed
CN-111362967-A Benzoxadiazatetetradecene derivatives and use thereof 南京雷正医药科技有限公司 2020-07-03 CN disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed