SCHEMBL7449344

SCHEMBL7449344

Cc1cc(NC(=O)c2nnn3c2CSc2ccccc2-3)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.54
SORT1 Q99523 3/20 0.39
MET P08581 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
NR1I2 O75469 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
IKBKE Q14164 1/20 0.37

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
SCHEMBL7454592 0.89 GRM5 (0.68) GRM5METSMARCA2SMARCA4TP53
SCHEMBL7458429 0.87 GRM5 (0.61) GRM5SORT1MEN1KMT2ASMARCA2
SCHEMBL7453711 0.87 GRM5 (0.58) GRM5SORT1MEN1KMT2ASMARCA2
SCHEMBL7454077 0.87 GRM5 (0.58) GRM5SORT1METMEN1KMT2A
SCHEMBL12067825 0.82 GRM5 (0.52) GRM5MEN1KMT2ATP53MAPT
SCHEMBL7449902 0.82 GRM5 (0.46) GRM5SORT1MEN1KMT2ASMARCA2
SCHEMBL7459153 0.78 GRM5 (0.72) GRM5MEN1KMT2ASMARCA2SMARCA4
SCHEMBL7453851 0.78 GRM5 (0.69) GRM5SMARCA2SMARCA4NPC1USP2
SCHEMBL7458646 0.77 GRM5 (0.73) GRM5MEN1KMT2ASMARCA2SMARCA4
SCHEMBL7454043 0.74 GRM5 (0.71) GRM5METMEN1KMT2ASMARCA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed