SCHEMBL18322356

SCHEMBL18322356

O=C(OCBr)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 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
SCHEMBL23300866 0.93
SCHEMBL1292196 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL11488922 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL30598427 0.81 ALDH1A1 (0.47) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL8710504 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL11402027 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL1421192 0.81 ALDH1A1 (0.47) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL675456 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL21138457 0.81 ALDH1A1 (0.61) ALDH1A1POLBATML3MBTL1THRB
SCHEMBL17093002 0.80 SMN1; SMN2 (0.46) ALDH1A1POLBATML3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090847-A1 ESTROGEN RECEPTOR DEGRADERS AND THEIR USE IN THE TREATMENT OF CANCER BPGBIO, INC. (US) 2025-05-01 WO disclosed
WO-2024037527-A1 BTK DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-02-22 WO disclosed
WO-2023202655-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2023-10-26 WO disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
EP-4051669-A1 SSAO INHIBITORS AND USE THEREOF Eccogene (Shanghai) Co., Ltd. (CN) 2022-09-07 EP disclosed
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
EP-3484854-A1 APOPTOSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2019-05-22 EP disclosed
EP-3307739-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 WO disclosed