SCHEMBL18768098

SCHEMBL18768098

C=C(NCC)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(-c3ccccc3)nc(OC)c2C=O)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAS1 P04201 1/20 0.87
AGTR2 P50052 13/20 0.48
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
AGTR1 P30556 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL15045765 0.93 MAS1 (1.00) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24019101 0.90 MAS1 (0.85) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637550 0.89 MAS1 (0.85) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637561 0.89 MAS1 (0.84) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637534 0.89 MAS1 (0.86) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637539 0.88 MAS1 (0.87) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637565 0.87 MAS1 (0.81) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637522 0.86 MAS1 (0.79) MAS1AGTR2MEN1GMNNUSP2
SCHEMBL24637566 0.84 MAS1 (0.83) MAS1AGTR2
SCHEMBL1334134 0.84 MAS1 (0.74) MAS1AGTR2MEN1GMNNUSP2

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
WO-2017066552-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF EPIDERMOLYSIS BULLOSA TARIX PHARMACEUTICALS LTD. (US) 2017-04-20 WO disclosed