SCHEMBL29370691

SCHEMBL29370691

COc1nc(Cl)ccc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 15/20 0.44
CD274 Q9NZQ7 15/20 0.44
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CRHBP P24387 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
SCHEMBL16419630 1.00 PDCD1LG2 (0.44) PDCD1LG2CD274ALDH1A1GFERTUBB4A
Hydrochloric Acid SCHEMBL28949992 0.98 PDCD1LG2 (0.43) PDCD1LG2CD274ALDH1A1GFERTUBB4A
SCHEMBL19237079 0.84 PDCD1LG2 (0.44) PDCD1LG2CD274ALDH1A1TUBB4ATUBB
SCHEMBL29599024 0.82 PDCD1LG2 (0.43) PDCD1LG2CD274ALDH1A1TUBB4ATUBB
SCHEMBL17781570 0.82 PDCD1LG2 (0.43) PDCD1LG2CD274ALDH1A1TUBB4ATUBB
SCHEMBL1848182 0.80 POLB (0.46) PDCD1LG2CD274ALDH1A1GFER
SCHEMBL5781489 0.80 APOBEC3A (0.44) PDCD1LG2CD274ALDH1A1GFER
SCHEMBL6962543 0.79 CD274 (0.45) PDCD1LG2CD274TUBB4ATUBBTUBA3C
SCHEMBL6955607 0.79 CD274 (0.48) PDCD1LG2CD274TUBB4ATUBBTUBA3C
SCHEMBL30028985 0.78 PDCD1LG2 (0.36) PDCD1LG2CD274ALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 CN disclosed
EP-4232431-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc. (US) 2023-08-30 EP disclosed
CN-116583501-A Compounds and compositions for treating conditions associated with LPA receptor activity 罗特斯生物公司 2023-08-11 CN disclosed
WO-2022083703-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. (US) 2022-04-28 WO disclosed
CN-114026081-A Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东公司 2022-02-08 CN disclosed