SCHEMBL13110692

SCHEMBL13110692

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 11/20 0.58
MAPT P10636 6/20 0.56
TP53 P04637 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 3/20 0.48
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
POLA1 P09884 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL13110688 0.91 MAPT (0.58) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13110690 0.90 AGPAT2 (0.57) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13127078 0.90 AGPAT2 (0.57) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13110689 0.89 AGPAT2 (0.65) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13110698 0.88 MAPT (0.56) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13110691 0.86 AGPAT2 (0.55) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13111043 0.86 AGPAT2 (0.53) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13110706 0.83 RAB9A (0.64) AGPAT2MAPTTP53ALOX15KMT2A
SCHEMBL13110704 0.80 AGPAT2 (0.65) AGPAT2MAPTTP53HPGDALOX15
SCHEMBL13880180 0.80 AGPAT2 (0.88) AGPAT2

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