SCHEMBL29437918

SCHEMBL29437918

CCc1nccn1Cc1ccc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.40
AKR1B1 P15121 2/20 0.38
ALPG P10696 2/20 0.38
PLAA Q9Y263 1/20 0.38
ALPL P05186 1/20 0.37
HSP90B1 P14625 2/20 0.37
HSP90AA1 P07900 2/20 0.37
TRAP1 Q12931 2/20 0.37
HSP90AB1 P08238 1/20 0.36
PYCR1 P32322 1/20 0.36

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
SCHEMBL23121185 1.00 KCNH2 (0.45) KCNH2ALDH1A1TSHRAKR1B1ALPG
SCHEMBL23120736 0.83 KCNH2 (0.44) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL29700592 0.83 KCNH2 (0.44) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL30645007 0.80 ALDH1A1 (0.42) KCNH2ALDH1A1TSHRALPGPLAA
SCHEMBL26129493 0.80 ALDH1A1 (0.42) KCNH2ALDH1A1TSHRALPGPLAA
SCHEMBL31434507 0.80 TRAP1 (0.43) KCNH2AKR1B1HSP90B1HSP90AA1TRAP1
SCHEMBL29437923 0.80 CYP2D6 (0.48) KCNH2TSHRAKR1B1HSP90B1TRAP1
SCHEMBL23121313 0.80 CYP2D6 (0.48) KCNH2TSHRAKR1B1HSP90B1TRAP1
SCHEMBL29047335 0.80 KCNH2 (0.45) KCNH2AKR1B1HSP90B1HSP90AA1TRAP1
SCHEMBL25243253 0.78 KCNH2 (0.41) KCNH2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568682-A Novel compounds for the treatment of angiotensin II related diseases 维科尔药物公司 2023-08-08 CN disclosed
EP-4208460-A1 NOVEL COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ANGIOTENSIN II Vicore Pharma AB (SE) 2023-07-12 EP disclosed
CN-114786774-A Novel compounds 维科尔药物公司 2022-07-22 CN disclosed
WO-2022049372-A1 NOVEL COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ANGIOTENSIN II VICORE PHARMA AB (SE) 2022-03-10 WO disclosed