SCHEMBL7518459

SCHEMBL7518459

C#CCN(CC#N)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
ZDHHC20 Q5W0Z9 3/20 0.34
CYP2C9 P11712 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ELANE P08246 1/20 0.33
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 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
SCHEMBL7522251 0.81 DPP4 (0.40) DPP4ZDHHC20ZDHHC2ELANECYP1A2
SCHEMBL7524699 0.76 DPP4 (0.50) DPP4MEN1KMT2AALDH1A1TSHR
SCHEMBL7524652 0.75 ALDH1A1 (0.40) DPP4MEN1KMT2AALDH1A1TSHR
SCHEMBL10957529 0.73 DPP4 (0.43) DPP4MEN1KMT2AALDH1A1TSHR
SCHEMBL11453591 0.72 ALDH1A1 (0.38) MEN1KMT2AALDH1A1TSHRCYP2C9
SCHEMBL7523722 0.71 ALDH1A1 (0.34) DPP4MEN1KMT2AALDH1A1TSHR
SCHEMBL9315853 0.70 ACHE (0.37) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL9316395 0.69 ALDH1A1 (0.35) ALDH1A1CYP2C9LMNAHSD17B10L3MBTL1
SCHEMBL7314381 0.69 ALDH1A1 (0.33) ALDH1A1CYP2C9LMNAHSD17B10ALOX15
SCHEMBL9404507 0.69 GAA (0.41) KMT2AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816342-B1 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL CO (JP) 2002-02-27 EP disclosed
US-5883260-A Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
EP-0816342-A2 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-07 EP disclosed