SCHEMBL27915239

SCHEMBL27915239

C=CC(c1ccc(CN)cc1)S(=O)(=O)n1ccc(C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PKM P14618 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ NCOR2 Q9Y618 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
SCHEMBL27591140 0.84 ALDH1A1 (0.37) SMN1; SMN2PKM
SCHEMBL28060198 0.81 CA12 (0.30) —
SCHEMBL28044543 0.74 ALDH1A1 (0.34) SMN1; SMN2PKM
SCHEMBL27520313 0.70 CA1 (0.41) KDM4ESMN1; SMN2HDAC3HDAC6NCOR2
SCHEMBL27915236 0.70 DHCR7 (0.36) KDM4ESMN1; SMN2PKMHDAC3HDAC6
SCHEMBL27736333 0.69 TSHR (0.35) SMN1; SMN2
SCHEMBL27591138 0.69 — —
SCHEMBL27622086 0.68 KDM4E (0.36) KDM4ESMN1; SMN2HDAC3HDAC6NCOR2
SCHEMBL22290714 0.67 PKM (0.45) KDM4ESMN1; SMN2PKMHDAC6
SCHEMBL28777481 0.66 HDAC3 (0.35) HDAC3HDAC6

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-103237800-B Amide derivatives and use thereof MITSUBISHI TANABE PHARMA CORP. (JP) 2015-10-21 — — CN disclosed
CN-103237800-A Amide derivatives and use thereof MITSUBISHI TANABE PHARMA CORP 2013-08-07 — — CN disclosed
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