SCHEMBL3976346

SCHEMBL3976346

CC(C)(C)OC(=O)Nc1sc(Br)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.63
CNR2 P34972 3/20 0.48
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
SRD5A2 P31213 1/20 0.38
IL2 P60568 1/20 0.38
CNR1 P21554 1/20 0.38
KCNK3 O14649 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
VNN1 O95497 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3971073 0.85 MAPT (0.47) ADORA1RXFP1ALDH1A1LMNAKMT2A
SCHEMBL4091366 0.78 ADORA1 (1.00) ADORA1CNR2ALDH1A1KMT2ASRD5A2
SCHEMBL29770865 0.77 ALDH1A1 (0.44) CNR2RXFP1ALDH1A1LMNAKMT2A
SCHEMBL29770867 0.77 ALDH1A1 (0.44) CNR2RXFP1ALDH1A1LMNAKMT2A
SCHEMBL29720642 0.73 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL24095743 0.70 RXFP1 (0.58) RXFP1LMNAKMT2AMAPTMEN1
SCHEMBL25354212 0.68 RXFP1 (0.59) RXFP1
SCHEMBL1013325 0.68 RXFP1 (0.73) RXFP1ALDH1A1LMNAKMT2AMAPT
SCHEMBL30042580 0.68 RXFP1 (0.73) RXFP1ALDH1A1LMNAKMT2AMAPT
SCHEMBL4090650 0.68 ADORA1 (0.77) ADORA1CNR2ALDH1A1KMT2ASRD5A2

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-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed