SCHEMBL9176002

SCHEMBL9176002

C=CN1CCCC1=O.CN(C)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
PIK3CD O00329 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL5473091 0.84 BRD4 (0.42) BRD4BRD2PIK3CDTSHRLMNA
SCHEMBL10869 0.84
Dimethylformamide SCHEMBL28283590 0.84 BRD4 (0.38) BRD4BRD2PIK3CDTSHR
SCHEMBL3843897 0.83 LMNA (0.33) LMNA
Chloromethane SCHEMBL28328656 0.83 BRD4 (0.43) BRD4BRD2PIK3CDTSHRLMNA
Propene SCHEMBL28161947 0.83 BRD4 (0.43) BRD4BRD2PIK3CDTSHRLMNA
Methyl Alcohol SCHEMBL9485563 0.83 BRD4 (0.43) BRD4BRD2PIK3CDTSHRLMNA
Ethylene SCHEMBL15224389 0.82 BRD4 (0.41) BRD4BRD2PIK3CDTSHRLMNA
SCHEMBL21051147 0.82
SCHEMBL722881 0.82

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-5399636-A Bound to inorganic support, olefin polymerization catalysts PHILLIPS PETROLEUM COMPANY (US) 1995-03-21 US disclosed