SCHEMBL20170088

SCHEMBL20170088

C=CC(=C)C1=CC(C)(C)NC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GLA P06280 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20170045 0.79 SMN1; SMN2 (0.43) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL5599103 0.72 KMT2A (0.49) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL11134639 0.69 SMN1; SMN2 (0.41) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL5599082 0.68 SMN1; SMN2 (0.46) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL4253446 0.66 SMN1; SMN2 (0.53) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL5489748 0.62 SMN1; SMN2 (0.44) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL20936054 0.62 SMN1; SMN2 (0.44) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL19102433 0.62 SMN1; SMN2 (0.44) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL12499138 0.62 SMN1; SMN2 (0.44) SMN1; SMN2GLAKMT2AL3MBTL1ALDH1A1
SCHEMBL10712476 0.58 SMN1; SMN2 (0.41) SMN1; SMN2GLAKMT2AL3MBTL1

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-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 — — EP disclosed
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