SCHEMBL7459153

SCHEMBL7459153

O=C(Nc1ccnc(Cl)c1)c1nnn2c1CSc1cc(Cl)ccc1-2

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.72
SMARCA2 P51531 7/20 0.39
SMARCA4 P51532 6/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HSD17B3 P37058 1/20 0.35
GRM1 Q13255 2/20 0.35
GRM4 Q14833 2/20 0.35
CSNK1E P49674 1/20 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
SCHEMBL7453851 0.92 GRM5 (0.69) GRM5SMARCA2SMARCA4CNR1CNR2
SCHEMBL7458429 0.91 GRM5 (0.61) GRM5SMARCA2SMARCA4MEN1MAPT
SCHEMBL7458646 0.90 GRM5 (0.73) GRM5SMARCA2SMARCA4MEN1MAPT
SCHEMBL7454592 0.89 GRM5 (0.68) GRM5SMARCA2SMARCA4MAPTGRM4
SCHEMBL7454043 0.86 GRM5 (0.71) GRM5SMARCA2SMARCA4MEN1MAPT
SCHEMBL7445410 0.84 GRM5 (1.00) GRM5SMARCA2SMARCA4MAPTCSNK1E
SCHEMBL7453711 0.83 GRM5 (0.58) GRM5SMARCA2SMARCA4MEN1KMT2A
SCHEMBL7446764 0.81 GRM5 (0.52) GRM5SMARCA2SMARCA4MEN1MAPT
SCHEMBL7450747 0.80 GRM5 (0.61) GRM5SMARCA2SMARCA4CNR1CNR2
SCHEMBL7454077 0.80 GRM5 (0.58) GRM5SMARCA2SMARCA4MEN1MAPT

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