SCHEMBL21782713

SCHEMBL21782713

COC(=O)C(I)CCCNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.38
▸ NPY1R P25929 4/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ DPP7 Q9UHL4 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ RRM1 P23921 1/20 0.31
▸ ZDHHC7 Q9NXF8 1/20 0.31
▸ NPY2R P49146 3/20 0.31
▸ NPY5R Q15761 3/20 0.31
▸ PAOX Q6QHF9 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL21782661 0.82 NPY4R (0.41) NPY4RNPY1RTSHRCA1CA2
SCHEMBL21782586 0.81 NPY4R (0.40) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL2172217 0.81 NPY4R (0.45) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL157856 0.81 NPY4R (0.45) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL42488 0.81 NPY4R (0.45) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL21782582 0.81 ALOX15 (0.39) NPY4RNPY1RALOX15MEN1KMT2A
SCHEMBL2236129 0.80 NPY4R (0.44) NPY4RNPY1RALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL866931 0.80 NPY4R (0.44) NPY4RNPY1RALOX15MEN1KMT2A
Guanidine SCHEMBL8907224 0.80 NPY4R (0.44) NPY4RNPY1RALOX15MEN1KMT2A
Urea SCHEMBL6812514 0.80 NPY4R (0.44) NPY4RNPY1RALOX15MEN1KMT2A

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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