SCHEMBL7524652

SCHEMBL7524652

C=C(Cl)CN(CC#N)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
ZDHHC20 Q5W0Z9 3/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
DPP4 P27487 5/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL7525018 0.83 CYP1A2 (0.41) CYP1A2ZDHHC20ZDHHC2DPP4ELANE
SCHEMBL9474575 0.77 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL9473733 0.75 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL7524699 0.75 DPP4 (0.50) ALDH1A1TSHRCYP1A2ZDHHC20ZDHHC2
SCHEMBL7518459 0.75 DPP4 (0.39) ALDH1A1TSHRCYP1A2ZDHHC20ZDHHC2
SCHEMBL9473088 0.73
SCHEMBL9547291 0.73 ZDHHC20 (0.40) ALDH1A1TSHRCYP1A2ZDHHC20ZDHHC2
SCHEMBL10957529 0.70 DPP4 (0.43) ALDH1A1TSHRDPP4MEN1KMT2A
SCHEMBL1758559 0.66 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL27332953 0.65 KMT2A (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2

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
EP-0816342-B1 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL CO (JP) 2002-02-27 EP disclosed
EP-0816342-A2 Process for producing 1-substituted-hydantoins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-07 EP disclosed