SCHEMBL2826546

SCHEMBL2826546

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cc(F)cc(Cl)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
SMARCA2 P51531 3/20 0.42
SMARCA4 P51532 3/20 0.42
SORT1 Q99523 1/20 0.37
PORCN Q9H237 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CSF1R P07333 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A1 P68400 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL2826716 0.93 GRM5 (0.50) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2830759 0.88 SMARCA2 (0.43) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL2829130 0.87 GRM5 (0.51) GRM5SMARCA2SMARCA4PORCNNPC1
SCHEMBL2826367 0.86 GRM5 (0.44) GRM5SMARCA2SMARCA4PORCNCSNK2A1
SCHEMBL2826248 0.86 SMARCA2 (0.56) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2831334 0.86 GRM5 (0.54) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2826318 0.86 GRM5 (0.54) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2828856 0.84 GRM5 (0.45) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2828828 0.83 GRM5 (0.46) GRM5SMARCA2SMARCA4SORT1PORCN
SCHEMBL2824786 0.82 GRM5 (0.46) GRM5SMARCA2SMARCA4NPC1RAB9A

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