SCHEMBL30645122

SCHEMBL30645122

CC(C(N)=O)C(Nc1nc2cc(OC(F)(F)F)ccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ MTOR P42345 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ TEK Q02763 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ ITGB6 P18564 1/20 0.35
▸ ITGB8 P26012 1/20 0.35

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
SCHEMBL30645017 0.80 SOS1 (0.42) MAPTMTORRAF1BRAFTEK
SCHEMBL20743026 0.80 SOS1 (0.42) MAPTMTORRAF1BRAFTEK
Trifluoroacetic Acid SCHEMBL22188697 0.77 SOS1 (0.42) MAPTMTORRAF1BRAFTEK
SCHEMBL19283585 0.69 MTOR (0.47) MAPTMTORRAF1BRAFTEK
SCHEMBL15111478 0.69 COASY (0.48) AURKAEPHX1SOS1
SCHEMBL19284055 0.67 ITGA5 (0.50) MTORRAF1BRAFKDM4ESOS1
SCHEMBL19283712 0.67 MTOR (0.50) MTORRAF1BRAFITGA5ITGB6
SCHEMBL19283637 0.67 ITGA5 (0.47) MAPTMTORRAF1BRAFTEK
SCHEMBL20743019 0.67 SOS1 (0.45) MAPTMTORRAF1TEKKDR
SCHEMBL20743022 0.66 KLRK1 (0.49) MTORKMT2AITGA5ITGB6ITGB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
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