SCHEMBL19754080

SCHEMBL19754080

CN1CCCC1=C=C1CCCN1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.52
▸ BRD2 P25440 1/20 0.52
▸ INMT O95050 3/20 0.46
▸ GAA P10253 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ PSMD14 O00487 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL28169882 0.79 — —
SCHEMBL19708710 0.79 — —
SCHEMBL19708770 0.72 — —
SCHEMBL10574450 0.72 — —
SCHEMBL19708792 0.70 LMNA (0.36) BRD4BRD2INMTALDH1A1KDM4E
Methylpyrrolidone SCHEMBL487 0.69 — —
Methylpyrrolidone SCHEMBL5423326 0.69 — —
Methylpyrrolidone SCHEMBL8055062 0.69 BRD4 (1.00) BRD4BRD2INMTGAAMEN1
Methylpyrrolidone SCHEMBL1255511 0.69 BRD4 (1.00) BRD4BRD2INMTGAAMEN1
SCHEMBL14031413 0.67 INMT (0.42) BRD4BRD2INMTMEN1KMT2A

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
US-20170369606-A1 Functionalized Elastomeric Polymer Compositions, Their Preparation Methods and Crosslinked Rubber Compositions Thereof TRINSEO EUROPE GMBH (CH) 2017-12-28 — — US disclosed
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