SCHEMBL2829460

SCHEMBL2829460

Cc1cc(NC(=O)Oc2nc(C)sc2NCc2cccnc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.53
PORCN Q9H237 2/20 0.46
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
VNN1 O95497 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK2 P24941 1/20 0.39
CLK1 P49759 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2826714 0.85 GRM5 (0.70) GRM5PORCNMAPT
SCHEMBL2828498 0.83 GRM5 (0.44) GRM5KMT2AALDH1A1HTT
SCHEMBL2826997 0.82 GRM5 (0.44) GRM5PORCN
SCHEMBL2827141 0.80 GRM5 (0.47) GRM5PORCNSMN1; SMN2MEN1KMT2A
SCHEMBL2832198 0.80 GRM5 (0.52) GRM5PORCNMEN1KMT2A
SCHEMBL2833093 0.79 GRM5 (0.69) GRM5PORCNMEN1KMT2A
SCHEMBL2826783 0.79 GRM5 (0.49) GRM5PORCNMAPTCDK2ALDH1A1
SCHEMBL2830413 0.78 GRM5 (0.51) GRM5PORCNMAPT
SCHEMBL2829074 0.78 GRM5 (0.47) GRM5PORCN
SCHEMBL2829461 0.77 GRM5 (0.48) GRM5PORCNMEN1KMT2AALDH1A1

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