SCHEMBL30718678

SCHEMBL30718678

CC1(c2ccc3cc(Br)ccc3n2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.42
▸ APP P05067 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ PTPN6 P29350 1/20 0.30
▸ CDC25A P30304 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL27146862 1.00 BACE1 (0.42) BACE1APPMAPTLMNAHTT
SCHEMBL1285896 0.89 BACE1 (0.49) BACE1MAPTHTTPSMB5TLR2
SCHEMBL27142881 0.79 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27140436 0.79 KDM4E (0.34) MAPTSMN1; SMN2MAPK13MAPK12MAPK11
SCHEMBL30824502 0.78 HTT (0.47) BACE1MAPTLMNAHTTSMN1; SMN2
SCHEMBL27319089 0.74 CHKA (0.42) HTTSMN1; SMN2ALDH1A1POLB
SCHEMBL5211296 0.70 TAAR1 (0.43) BACE1APPMAPTLMNAHTT
SCHEMBL31413431 0.67 BACE1 (0.45) BACE1MAPTLMNAHTTBLM
SCHEMBL27108966 0.67 BACE1 (0.45) BACE1MAPTLMNAHTTBLM
SCHEMBL1500149 0.67 SMN1; SMN2 (0.48) BACE1MAPTHTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
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