SCHEMBL17090440

SCHEMBL17090440

CC(C)NS(=O)(=O)c1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.51
ALDH1A1 P00352 8/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
GAA P10253 1/20 0.44
NPY5R Q15761 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL17090453 0.85 GRIA1 (0.46) GRIA1ALDH1A1KMT2APKMNPY5R
SCHEMBL11935686 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL11935672 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL13565890 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL17090457 0.82 ALDH1A1 (0.51) GRIA1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11935729 0.81 GRIA1 (0.59) GRIA1ALDH1A1MEN1KMT2AMAPT
SCHEMBL13564968 0.81 GRIA1 (0.59) GRIA1ALDH1A1MEN1KMT2APKM
SCHEMBL10115436 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL13565298 0.80 GRIA1 (0.58) GRIA1ALDH1A1MEN1KMT2ANPY5R
SCHEMBL13564814 0.80 GRIA1 (0.58) GRIA1ALDH1A1MEN1KMT2AMAPT

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed