SCHEMBL2832991

SCHEMBL2832991

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cccc(-c3ccn(C)n3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
POLQ O75417 1/20 0.40
GPR142 Q7Z601 1/20 0.40
PORCN Q9H237 2/20 0.38
NTRK1 P04629 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FYN P06241 3/20 0.36
CNR1 P21554 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL2829130 0.83 GRM5 (0.51) GRM5PORCNMAPTNPC1RAB9A
SCHEMBL2826783 0.81 GRM5 (0.49) GRM5GPR142PORCNSYKMAPT
SCHEMBL2826236 0.81 GRM5 (0.49) GRM5SYKFYN
SCHEMBL2826583 0.81 GRM5 (0.48) GRM5PORCNSYKMAPTSMN1; SMN2
SCHEMBL2826410 0.81 GRM5 (0.46) GRM5PORCNSYKMEN1KMT2A
SCHEMBL2826248 0.80 SMARCA2 (0.56) GRM5PORCNNPC1RAB9AJAK2
SCHEMBL2829701 0.80 GRM5 (0.48) GRM5PORCNMAPTNPC1ALDH1A1
SCHEMBL2830980 0.80 GRM5 (0.48) GRM5SYKMAPTSMN1; SMN2KDM4E
SCHEMBL2826404 0.80 GRM5 (0.47) GRM5PORCNSYKMAPTLMNA
SCHEMBL2830138 0.80 GRM5 (0.49) GRM5PORCNJAK2SMARCA2SMARCA4

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