SCHEMBL25758961

SCHEMBL25758961

CCOC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 9/20 0.76
MAPT P10636 6/20 0.76
ALDH1A1 P00352 6/20 0.76
HPGD P15428 5/20 0.76
GAA P10253 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
PRKCZ Q05513 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
XBP1 P17861 1/20 0.58
TP53 P04637 2/20 0.56
MDM2 Q00987 2/20 0.56
GRM5 P41594 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL6160814 0.86 GRM6 (1.00) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL6157860 0.86 TP53 (0.75) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL4217459 0.86 GRM6 (1.00) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL31464161 0.83 GRM6 (0.71) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL10489596 0.83 GRM6 (0.76) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL4249297 0.82 GRM6 (0.70) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL25282452 0.82 ALDH1A1 (0.58) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL4095490 0.81 TP53 (0.56) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL21247139 0.81 MAPT (0.76) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL16077447 0.81 ALDH1A1 (0.60) GRM6MAPTALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119333-A1 PROCESS FOR PREPARATION OF RELUGOLIX AND ITS INTERMEDIATES DR. REDDY’S LABORATORIES LIMITED (IN) 2023-06-29 WO disclosed