SCHEMBL7315541

SCHEMBL7315541

C#Cc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2Cc2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HSP90AA1 P07900 2/20 0.39
GAA P10253 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.38
PLA2G2A P14555 2/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 2/20 0.37
CYTH2 Q99418 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2B Q14289 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7317673 0.94 METAP2 (0.43) MTNR1AMTNR1BGAAPOLBTSHR
SCHEMBL7317403 0.88 METAP2 (0.48) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7318301 0.87 MTNR1A (0.43) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7316525 0.86 ALDH1A1 (0.42) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7313794 0.86 MTNR1A (0.42) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7317828 0.86 CTSL (0.38) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7321197 0.85 MTNR1A (0.41) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7354897 0.84 FFAR4 (0.41) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7322288 0.83 MMP1 (0.50) MTNR1AMTNR1BHSP90AA1GAAPOLB
SCHEMBL7313454 0.83 ACLY (0.51) MTNR1AMTNR1BGAAPOLBTSHR

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed