SCHEMBL13110698

SCHEMBL13110698

COc1ccc(Nc2cc(-c3ccc(SC)cc3)nc(N)n2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
AGPAT2 O15120 10/20 0.55
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLA1 P09884 1/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL13110692 0.88 AGPAT2 (0.58) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13110688 0.88 MAPT (0.58) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13127078 0.87 AGPAT2 (0.57) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13110690 0.87 AGPAT2 (0.57) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13110689 0.86 AGPAT2 (0.65) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13111043 0.83 AGPAT2 (0.53) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13110691 0.83 AGPAT2 (0.55) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL13110706 0.78 RAB9A (0.64) MAPTAGPAT2TP53KMT2AALOX15
SCHEMBL13110704 0.77 AGPAT2 (0.65) MAPTAGPAT2TP53KMT2AHPGD
SCHEMBL3450227 0.76 MAPT (0.57) MAPTAGPAT2TP53KMT2AHPGD

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
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed