SCHEMBL29925812

SCHEMBL29925812

Cc1c(Br)cccc1COc1cc(O)c(C=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.46
PDCD1 Q15116 4/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL18729371 1.00 CD274 (0.46) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL19897793 0.88 CD274 (0.47) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL30395624 0.88 CD274 (0.47) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL23078333 0.88 MRGPRX4 (0.39) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL19897846 0.88 CD274 (0.54) CD274PDCD1MRGPRX4
SCHEMBL29925177 0.88 MRGPRX4 (0.39) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL18729134 0.86 MRGPRX4 (0.46) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL20540267 0.86 ALDH1A1 (0.38) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL20540140 0.86 CD274 (0.50) CD274PDCD1MRGPRX4ALDH1A1MAPT
SCHEMBL29724501 0.86 ALDH1A1 (0.38) CD274PDCD1MRGPRX4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365995-B Immunomodulators, compositions and methods thereof 贝达药业股份有限公司 2025-03-04 CN disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 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
CN-113307779-B Heterocyclic substituted biphenyl compound, preparation method and application 中国药科大学 2023-04-21 CN disclosed
CN-110267953-B Tetrahydroimidazo [4,5-C ] pyridine derivatives as inducers of PD-L1 internalization 因赛特公司 2022-12-20 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
WO-2022228286-A1 NOVEL BIPHENYL DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 西安新通药物研究股份有限公司 2022-11-03 WO disclosed