SCHEMBL2827912

SCHEMBL2827912

Cc1nc(OC(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cccnc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PIK3CG P48736 2/20 0.42
MPL P40238 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL2827578 0.88 GRM5 (0.50) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2829012 0.85 GRM5 (0.41) GRM5MAPTKDM4ENPC1RAB9A
SCHEMBL15663639 0.84 GRM5 (0.44) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2829127 0.84 GRM5 (0.46) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2832741 0.83 GRM5 (0.44) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2828125 0.82 GRM5 (0.50) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2827389 0.81 GRM5 (0.51) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2827009 0.78 GRM5 (0.53) GRM5MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL2825827 0.78 GRM5 (0.47) GRM5MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL2824785 0.77 GRM5 (0.70) GRM5MEN1KMT2ANPC1RAB9A

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
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed