SCHEMBL8563958

SCHEMBL8563958

CS(=O)(=O)[C@H]1CNc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
EPHX2 P34913 1/20 0.43
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTR2B P41595 1/20 0.32
MAPK1 P28482 1/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL8563961 1.00 MTNR1A (0.46) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8563956 1.00 MTNR1A (0.46) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8564560 0.83 MTNR1A (0.47) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8564556 0.83 MTNR1A (0.47) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL8564565 0.83 MTNR1A (0.47) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL20609826 0.83 MTNR1A (0.42) MTNR1AMTNR1BEPHX2BRD4CREBBP
SCHEMBL6740841 0.77 CA1 (0.45) CA1CA2ALDH1A1
SCHEMBL26613578 0.72 ESR2 (0.48) MTNR1AMTNR1BEPHX2GAAMEN1
SCHEMBL29746179 0.72 ESR2 (0.48) MTNR1AMTNR1BEPHX2GAAMEN1
SCHEMBL9965445 0.72 BRD4 (0.55) MTNR1AMTNR1BEPHX2BRD4CREBBP

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed