SCHEMBL20059918

SCHEMBL20059918

CN/C(Cc1ccccc1OC)=C1\C(=N)CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 3/20 0.39
GLS O94925 1/20 0.39
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KLK7 P49862 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 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
SCHEMBL20060002 0.78 ALDH1A1 (0.42) LMNASMN1; SMN2GAAMAPTHPGD
SCHEMBL20060196 0.78 CTSD (0.39) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL20060154 0.77 GLS (0.38) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL20060005 0.74
SCHEMBL20060139 0.73 CMA1 (0.39) MAPTTSHRHPGDTAAR1
SCHEMBL20060020 0.72 MEN1 (0.30) MEN1KMT2A
SCHEMBL20060136 0.69 MEN1 (0.37) MEN1KMT2A
SCHEMBL20060217 0.69 IGF1R (0.55)
SCHEMBL20060018 0.67
SCHEMBL8314477 0.67 MEN1 (0.63) MEN1KMT2ASMN1; SMN2GAAMAPT

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
EP-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed