SCHEMBL29443002

SCHEMBL29443002

O=C1c2ccccc2C(=O)N1C/C=C/CBr

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.51
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ GLS O94925 1/20 0.44
▸ DRD3 P35462 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALDH3A1 P30838 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41

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
SCHEMBL30423183 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4581609 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4581604 1.00 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL8950475 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL4468251 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL4476083 0.90 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL8668395 0.86 CASP3 (0.41) CASP3CA12CA9GLSDRD3
SCHEMBL8668397 0.86 CASP3 (0.41) CASP3CA12CA9GLSDRD3
SCHEMBL7525034 0.85 CASP3 (0.49) CASP3CA12CA9GLSDRD3
SCHEMBL21901972 0.82 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510770-A Fused heteroaryl hydroxamic acids as STING agonists 比西切姆有限公司 2024-08-16 — — CN disclosed
WO-2024137619-A1 ANTI-CLAUDIN, BIS-BENZIMID AZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
EP-4359007-A1 BIS-BENZIMIDAZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2024-05-01 — — EP disclosed
CN-117751182-A Method for amplifying human granulocyte-macrophage progenitor cells and application thereof 南加利福尼亚大学 2024-03-22 — — CN disclosed
WO-2022272039-A1 BIS-BENZIMIDAZOLE STING AGONIST IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-12-29 — — WO disclosed
CN-114585390-A Aminobenzazepine compounds, immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2022-06-03 — — CN disclosed
CN-109689639-B Spirolactams as ROCK inhibitors 百时美施贵宝公司 2022-02-18 — — CN disclosed
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