SCHEMBL6921278

SCHEMBL6921278

CCn1nc(C)c(C(=O)c2cccnc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL6922174 0.85 MAPT (0.43) TSHRHTTMAPTHPGDALOX15
SCHEMBL5644298 0.84 ABCB1 (0.48) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6922335 0.83 MAPT (0.41) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6919541 0.83 HTT (0.41) TSHRHTTMAPTHPGDALOX15
SCHEMBL6920919 0.83 TBXAS1 (0.52) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6921074 0.82 TBXAS1 (0.48) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6919643 0.82 L3MBTL1 (0.46) TSHRHTTMAPTHPGDALOX15
SCHEMBL6921251 0.82 TSHR (0.49) TSHRMAPTHPGDHSD17B10ALDH1A1
SCHEMBL6920008 0.81 L3MBTL1 (0.41) TSHRHTTMAPTHPGDALOX15
SCHEMBL6919131 0.81 ALDH1A1 (0.40) HTTMAPTHPGDALOX15HSD17B10

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-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
WO-2004033431-A2 HYDROXYPYRAZOLES FOR USE AGAINST METABOLIC-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed