SCHEMBL9456502

SCHEMBL9456502

CN(C)N1CCCC1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.34
PIK3CD O00329 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33
EPHX1 P07099 1/20 0.32
PIK3CB P42338 2/20 0.32
DPP4 P27487 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
BCHE P06276 1/20 0.32
ELANE P08246 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PIK3CG P48736 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
SCHEMBL5695504 1.00 PIK3CA (0.34) PIK3CAPIK3CDSMN1; SMN2AREPHX1
SCHEMBL3924487 0.82 ACE (0.41) KDM4ELMNA
SCHEMBL28261258 0.82 ACE (0.41) KDM4ELMNA
SCHEMBL24162042 0.82 DPP4 (0.36) DPP4KDM4ELMNA
SCHEMBL9853736 0.80
SCHEMBL29178052 0.80
SCHEMBL23077176 0.77 BCHE (0.35) PIK3CAPIK3CDSMN1; SMN2DPP4ALDH1A1
SCHEMBL19347391 0.73 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBDPP4KDM4E
SCHEMBL153362 0.72
SCHEMBL1369765 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200494-A Curing agent which is reaction product of N,N-dialkylaminoalkylamine, primary amine and diisocyanate; storage stable, quick curing FUJI KASEI KOGYO CO., LTD. (JP) 1993-04-06 US disclosed
EP-0452866-A2 One-pack type epoxide composition FUJI KASEI KOGYO CO., LTD. (JP) 1991-10-23 EP disclosed