SCHEMBL7447799

SCHEMBL7447799

Cc1cc(NC(=O)c2nc(C)n3c2CSc2ccc(Cl)cc2-3)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
SORT1 Q99523 2/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
F10 P00742 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HBB P68871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATR Q13535 1/20 0.36
HSD17B3 P37058 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL7454850 0.93 GRM5 (0.52) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7456653 0.92 GRM5 (0.44) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7449902 0.87 GRM5 (0.46) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7446764 0.86 GRM5 (0.52) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7453711 0.83 GRM5 (0.58) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL7458050 0.83 GRM5 (0.48) GRM5SORT1SMARCA2SMARCA4MEN1
SCHEMBL7451341 0.83 GRM5 (0.53) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL12067755 0.82 GRM5 (0.43) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL12067837 0.81 GRM5 (0.43) GRM5SORT1SMARCA2SMARCA4NPC1
SCHEMBL12067831 0.80 L3MBTL1 (0.45) NPC1RAB9AALDH1A1LMNASMN1; SMN2

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

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