SCHEMBL22116993

SCHEMBL22116993

CCC(Nc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.82

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
SCHEMBL20491023 0.90 HDAC6 (1.00) HDAC6
SCHEMBL20490930 0.85 HDAC6 (1.00) HDAC6
SCHEMBL20490988 0.81 HDAC6 (1.00) HDAC6
SCHEMBL20491025 0.80 HDAC6 (1.00) HDAC6
SCHEMBL27120631 0.80 HDAC6 (0.77) HDAC6
SCHEMBL26968020 0.80 HDAC6 (0.77) HDAC6
SCHEMBL21180523 0.79 HDAC6 (0.81) HDAC6
SCHEMBL20491296 0.79 HDAC6 (1.00) HDAC6
SCHEMBL22116986 0.78 HDAC6 (0.66) HDAC6
SCHEMBL20490968 0.78 HDAC6 (0.79) HDAC6

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-3897154-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2021-10-27 — — EP disclosed
WO-2020127974-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 — — WO disclosed
Send feedback