SCHEMBL29700592

SCHEMBL29700592

Cc1nccn1Cc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
AKR1B1 P15121 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2B Q13224 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
TP53 P04637 1/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 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
SCHEMBL23120736 1.00 KCNH2 (0.44) KCNH2AKR1B1LMNAL3MBTL1GRIN2B
SCHEMBL25243253 0.95 KCNH2 (0.41) KCNH2AKR1B1LMNAL3MBTL1GRIN2B
SCHEMBL26127719 0.85 L3MBTL1 (0.43) KCNH2LMNAL3MBTL1
SCHEMBL29437918 0.83 KCNH2 (0.45) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL23121185 0.83 KCNH2 (0.45) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL31434507 0.82 TRAP1 (0.43) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL27535901 0.82 LMNA (0.48) KCNH2LMNAL3MBTL1
SCHEMBL23121313 0.82 CYP2D6 (0.48) KCNH2AKR1B1HSP90B1TRAP1
SCHEMBL29047335 0.82 KCNH2 (0.45) KCNH2AKR1B1TLR7HSP90B1TRAP1
SCHEMBL29437923 0.82 CYP2D6 (0.48) KCNH2AKR1B1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031240-A1 NEW COMPOUNDS Vicore Pharma AB (SE) 2022-07-27 EP disclosed
CN-114786774-A Novel compounds 维科尔药物公司 2022-07-22 CN disclosed