SCHEMBL7454043

SCHEMBL7454043

O=C(Nc1ccnc(Cl)c1)c1nnn2c1CSc1cc(F)c(Cl)cc1-2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.71
SMARCA2 P51531 6/20 0.37
SMARCA4 P51532 5/20 0.37
MET P08581 6/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CD38 P28907 1/20 0.36
CSNK1E P49674 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7458646 0.88 GRM5 (0.73) GRM5SMARCA2SMARCA4NPC1MAPT
SCHEMBL7459153 0.86 GRM5 (0.72) GRM5SMARCA2SMARCA4MAPTCSNK1E
SCHEMBL7453851 0.86 GRM5 (0.69) GRM5SMARCA2SMARCA4KDM4ENPC1
SCHEMBL7454592 0.85 GRM5 (0.68) GRM5SMARCA2SMARCA4METNPC1
SCHEMBL7445410 0.83 GRM5 (1.00) GRM5SMARCA2SMARCA4METKDM4E
SCHEMBL7451577 0.82 GRM5 (0.55) GRM5SMARCA2SMARCA4METKDM4E
SCHEMBL7560379 0.81 GRM5 (0.59) GRM5SMARCA2SMARCA4METKDM4E
SCHEMBL7454077 0.77 GRM5 (0.58) GRM5SMARCA2SMARCA4METNPC1
SCHEMBL7458429 0.77 GRM5 (0.61) GRM5SMARCA2SMARCA4MAPTMEN1
SCHEMBL7453711 0.77 GRM5 (0.58) GRM5SMARCA2SMARCA4KDM4ENPC1

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