SCHEMBL28217090

SCHEMBL28217090

O=C(c1ccc(-c2cc3ccccc3o2)cc1)N1CCC(F)(F)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TNKS O95271 1/20 0.52
MKNK1 Q9BUB5 14/20 0.51
MKNK2 Q9HBH9 14/20 0.51
EIF4E P06730 8/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL28859698 0.85 MKNK1 (0.66) ALDH1A1TNKSMKNK1MKNK2EIF4E
SCHEMBL28216628 0.84 MKNK1 (0.66) ALDH1A1TNKSMKNK1MKNK2EIF4E
SCHEMBL28217093 0.81 ALDH1A1 (0.51) ALDH1A1TNKSMKNK1MKNK2EIF4E
SCHEMBL16380067 0.80 PAK4 (0.48) ALDH1A1MKNK1MKNK2EIF4ECA12
SCHEMBL18325872 0.80 PAK4 (0.47) ALDH1A1MKNK1MKNK2EIF4EKCNH2
SCHEMBL28234722 0.75 MKNK1 (0.52) ALDH1A1MKNK1MKNK2
SCHEMBL980203 0.73 TNKS (0.66) ALDH1A1TNKSCA12CA1CA2
SCHEMBL16385826 0.72 HPGD (0.54) ALDH1A1TNKSMKNK1MKNK2EIF4E
SCHEMBL3694272 0.72 NPC1 (0.67) ALDH1A1TNKSCA12CA1CA2
SCHEMBL21166248 0.72 SLC6A7 (0.57) ALDH1A1CA12CA1CA2CA7

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
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed