SCHEMBL2828969

SCHEMBL2828969

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cncc(C(F)F)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.52
PORCN Q9H237 3/20 0.37
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 1/20 0.36
CSF1R P07333 1/20 0.35
SORT1 Q99523 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL2831334 0.88 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2833088 0.88 GRM5 (0.56) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2826318 0.86 GRM5 (0.54) GRM5PORCNSMARCA2SMARCA4CSF1R
SCHEMBL2833093 0.86 GRM5 (0.69) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2828392 0.85 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2831342 0.85 GRM5 (0.53) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2832198 0.84 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4SORT1
SCHEMBL2826714 0.84 GRM5 (0.70) GRM5PORCNSMARCA2SMARCA4
SCHEMBL2829312 0.84 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4HDAC3
SCHEMBL2833058 0.84 GRM5 (0.52) GRM5PORCNSMARCA2SMARCA4SORT1

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