SCHEMBL7454592

SCHEMBL7454592

O=C(Nc1ccnc(Cl)c1)c1nnn2c1CSc1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.68
SMARCA2 P51531 7/20 0.40
SMARCA4 P51532 6/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MET P08581 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CSNK1E P49674 1/20 0.35
GRM4 Q14833 2/20 0.34

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
SCHEMBL7459153 0.89 GRM5 (0.72) GRM5SMARCA2SMARCA4MAPTCSNK1E
SCHEMBL7453851 0.89 GRM5 (0.69) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL7449344 0.89 GRM5 (0.54) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL7458646 0.87 GRM5 (0.73) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL12067825 0.86 GRM5 (0.52) GRM5NPC1RAB9ALMNATP53
SCHEMBL7454043 0.85 GRM5 (0.71) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL7445410 0.81 GRM5 (1.00) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL7458429 0.80 GRM5 (0.61) GRM5SMARCA2SMARCA4MAPTGRM4
SCHEMBL7453711 0.80 GRM5 (0.58) GRM5SMARCA2SMARCA4NPC1RAB9A
SCHEMBL7451341 0.80 GRM5 (0.53) 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 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