SCHEMBL5196291

SCHEMBL5196291

CNC(=O)C(COC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.53
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MMP1 P03956 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL5721087 0.86 GLS (0.43) GLSHPGDLMNATSHRKMT2A
SCHEMBL819828 0.82 KMT2A (0.58) GLSHPGDLMNATSHRKMT2A
SCHEMBL2016945 0.82 CYP2C19 (0.52) GLSHPGDLMNATSHRKMT2A
SCHEMBL2049579 0.80 ALDH1A1 (0.66) LMNAKMT2AALDH1A1CRHBPCRHR2
SCHEMBL2721958 0.80 LMNA (0.50) GLSLMNAALDH1A1CRHBPCRHR2
SCHEMBL819824 0.79 GLS (0.46) GLSHPGDLMNATSHRKMT2A
SCHEMBL6802549 0.79 EPHX1 (0.58) GLSHPGDTSHRKMT2AALDH1A1
SCHEMBL19256857 0.79 ROCK2 (0.50) GLSLMNAALDH1A1CRHBPCRHR2
SCHEMBL9055208 0.79 ROCK2 (0.50) GLSLMNAALDH1A1CRHBPCRHR2
SCHEMBL7504901 0.79 LMNA (0.49) LMNAALDH1A1CRHBPCRHR2HTT

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-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed