SCHEMBL22641744

SCHEMBL22641744

O=C(/C=C/c1ccc(C2=CCC(n3ccnc3)C=C2)cc1)NOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.36
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL22579296 0.80 MAOB (0.43) TGFBR1MGLL
SCHEMBL8326205 0.76 TBXAS1 (0.53) —
SCHEMBL38654486 0.74 TRPM8 (0.41) TGFBR1MGLL
SCHEMBL4819507 0.74 TRPM8 (0.41) TGFBR1MGLL
SCHEMBL1579763 0.72 MGLL (0.43) TGFBR1MGLL
SCHEMBL26186289 0.72 MGLL (0.41) TGFBR1MGLL
SCHEMBL1579761 0.72 MGLL (0.43) TGFBR1MGLL
SCHEMBL22579300 0.72 ADH5 (0.48) TGFBR1
SCHEMBL4258903 0.71 MGLL (0.46) MGLL
SCHEMBL4258906 0.71 MGLL (0.46) MGLL

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
EP-3736266-A1 COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF Peking University Shenzhen Graduate School (CN) 2020-11-11 — — EP disclosed
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