SCHEMBL27674782

SCHEMBL27674782

CC(C(=O)C(C)c1nccn1S(=O)(=O)CC=Cc1ccc(CN)cc1)c1nccn1S(=O)(=O)CC=Cc1ccc(CN)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27775885 0.70 HDAC6 (0.47) —
SCHEMBL27532360 0.68 PSIP1 (0.32) —
SCHEMBL27906719 0.67 ALDH1A1 (0.36) KDM4E
SCHEMBL28060149 0.67 PSIP1 (0.33) —
SCHEMBL27727930 0.67 — —
SCHEMBL27915236 0.66 DHCR7 (0.36) PPARGKDM4ESMN1; SMN2
SCHEMBL28790455 0.66 — —
SCHEMBL27520310 0.65 CA1 (0.42) KDM4ESMN1; SMN2
SCHEMBL28777649 0.65 HTR6 (0.36) PPARGPPARA
SCHEMBL27736332 0.64 TSHR (0.42) KDM4ESMN1; SMN2

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-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 — — CN disclosed
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