SCHEMBL29648252

SCHEMBL29648252

Cc1c(Br)cccc1OCCCBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.43
▸ MAPT P10636 9/20 0.43
▸ L3MBTL1 Q9Y468 7/20 0.43
▸ HPGD P15428 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR1B P28222 1/20 0.42
▸ LMNA P02545 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ TDP1 Q9NUW8 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL18728167 1.00 HTR7 (0.43) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL26636424 0.95 HTR7 (0.42) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL26636905 0.91 HTR7 (0.44) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL22807537 0.90 MAPT (0.39) HTR7MAPTL3MBTL1HPGDRAB9A
Bicarbonate SCHEMBL29992844 0.89 SMN1; SMN2 (0.39) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL18728445 0.85 HTR7 (0.43) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL29772127 0.85 HTR7 (0.43) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL28751083 0.85 CYP1A2 (0.50) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL30504433 0.84 HTR1B (0.50) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL18757446 0.84 HTR1B (0.50) HTR7MAPTL3MBTL1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519259-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-12 — — EP disclosed
EP-4519260-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XDEGRADERS Treeline Biosciences, Inc. (US) 2025-03-12 — — EP disclosed
CN-112566900-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-04-26 — — CN disclosed
CN-117561246-A Novel biphenyl derivative, preparation method and medical application thereof 西安新通药物研究股份有限公司 2024-02-13 — — CN disclosed
WO-2023215471-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 — — WO disclosed
WO-2023215482-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 — — WO disclosed
CN-111793077-B PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 东莞市东阳光新药研发有限公司 2023-08-04 — — CN disclosed
CN-111788193-B PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业有限公司 2023-04-04 — — CN disclosed
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 — — CN disclosed
CN-113461668-B Novel biphenyl derivative, preparation method and medical application thereof 西安新通药物研究股份有限公司 2022-12-09 — — CN disclosed
EP-3759093-B1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-30 — — EP disclosed
EP-4037776-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2022-08-10 — — EP disclosed
CN-114761085-A Compounds useful as immunomodulators 百时美施贵宝公司 2022-07-15 — — CN disclosed
CN-110128415-B Indoline compound used as immunomodulator and preparation method thereof 沈阳药科大学 2022-03-25 — — CN disclosed
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