SCHEMBL19445592

SCHEMBL19445592

CSc1ccc(N)cc1C(=O)N[C@@H](CCCNC(=N)N)N=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR2A P28223 1/20 0.32
▸ NPY5R Q15761 6/20 0.31
▸ NPY4R P50391 6/20 0.31
▸ NPY1R P25929 5/20 0.31
▸ NPY2R P49146 3/20 0.31

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
SCHEMBL19445599 0.84 ALOX5 (0.34) ALOX5HPGDKMT2AHSD17B10HTR2A
SCHEMBL17572384 0.73 NPY4R (0.41) ALOX5NPY5RNPY4RNPY1RNPY2R
SCHEMBL17949771 0.69 HTR2A (0.41) ALOX5HTR2ANPY5RNPY4RNPY1R
SCHEMBL10262883 0.69 NPY4R (0.41) KMT2ANPY5RNPY4RNPY1RNPY2R
SCHEMBL19944906 0.68 NPY4R (0.41) KMT2ANPY5RNPY4RNPY1RNPY2R
SCHEMBL19445855 0.67 HTR2A (0.40) ALOX5HTR2A
SCHEMBL25635045 0.67 NPY4R (0.37) ALOX5NPY5RNPY4RNPY1RNPY2R
SCHEMBL14418224 0.66 ALOX5 (0.41) ALOX5HPGDKMT2AHSD17B10
SCHEMBL2033468 0.66 MAPT (0.38) HPGDKMT2AHSD17B10NPY5RNPY4R
SCHEMBL19445594 0.64 KDM4E (0.45) ALOX5HPGDKMT2AHSD17B10

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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