SCHEMBL2828398

SCHEMBL2828398

Cc1nc(OC(=O)Nc2cccc(Cl)c2)c(Nc2cncnc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
BRAF P15056 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2826781 0.91 GRM5 (0.52) GRM5MAPTLMNANPC1KMT2A
SCHEMBL2832150 0.89 KMT2A (0.50) GRM5MAPTLMNAHTTNPC1
SCHEMBL2827550 0.87 BRAF (0.48) MAPTLMNAHTTNPC1RAB9A
SCHEMBL2827440 0.86 GRM5 (0.46) GRM5MAPTLMNAHTTNPC1
SCHEMBL2825999 0.86 LMNA (0.41) GRM5MAPTLMNAHTTNPC1
SCHEMBL2831187 0.86 GRM5 (0.57) GRM5NPC1RAB9A
SCHEMBL2829877 0.84 GRM5 (0.45) GRM5GAAKMT2AMEN1ALDH1A1
SCHEMBL2824920 0.84 ABL1 (0.45) GRM5MAPTLMNAHTTNPC1
SCHEMBL2830402 0.84 MAPT (0.45) MAPTLMNAHTTNPC1RAB9A
SCHEMBL2827540 0.84 GRM5 (0.47) GRM5MAPTNPC1RAB9AKMT2A

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