SCHEMBL6922367

SCHEMBL6922367

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 1/20 0.37
GAA P10253 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36

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 0.88 MAPT (0.43) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6919541 0.85 HTT (0.41) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6921905 0.85 LMNA (0.41) HTTMAPTLMNACYP1A2CYP3A4
SCHEMBL6919643 0.84 L3MBTL1 (0.46) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6919131 0.83 ALDH1A1 (0.40) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6918790 0.82 LMNA (0.42) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6921278 0.81 TSHR (0.46) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6920919 0.78 TBXAS1 (0.52) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6922335 0.78 MAPT (0.41) HTTMAPTHPGDALOX15HSD17B10
SCHEMBL6921074 0.77 TBXAS1 (0.48) 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