Methylpyrrolidone

Methylpyrrolidone

SCHEMBL27475593

CCC.CN1CCCC1=O.CO

nearest known ligand 0.77

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.77
BRD2 P25440 1/20 0.77
LMNA P02545 4/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PIK3CD O00329 1/20 0.41
KMT2A Q03164 5/20 0.40
TSHR P16473 2/20 0.39
INMT O95050 2/20 0.39
ALDH1A1 P00352 4/20 0.38

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
Methylpyrrolidone SCHEMBL10902634 0.95 BRD4 (0.85) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL1368701 0.93
Methylpyrrolidone SCHEMBL1841013 0.91 BRD4 (0.77) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL8055062 0.88 BRD4 (1.00) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL487 0.88
Methylpyrrolidone SCHEMBL1255511 0.88 BRD4 (1.00) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL5423326 0.88
Methylpyrrolidone SCHEMBL7117712 0.87 BRD4 (0.71) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL3802011 0.86 BRD4 (0.77) BRD4BRD2LMNACA12CA1
Methylpyrrolidone SCHEMBL28253491 0.86 BRD4 (0.77) BRD4BRD2LMNACA12CA1

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-1141324-A Jet ink composition VIDEOJET SYSTEMS INT (US) 1997-01-29 CN disclosed