SCHEMBL6919131

SCHEMBL6919131

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6919541 0.85 HTT (0.41) ALDH1A1MAPTHTTHPGDALOX15
SCHEMBL6820177 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL6919643 0.84 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6922367 0.83 HTT (0.40) ALDH1A1MAPTHTTHPGDALOX15
SCHEMBL6922335 0.83 MAPT (0.41) ALDH1A1MAPTHTTHPGDALOX15
SCHEMBL6918790 0.82 LMNA (0.42) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6921278 0.81 TSHR (0.46) ALDH1A1MAPTHTTHPGDALOX15
SCHEMBL6920919 0.78 TBXAS1 (0.52) ALDH1A1KMT2AMAPTHTTHPGD
SCHEMBL6921074 0.77 TBXAS1 (0.48) ALDH1A1MEN1KMT2AMAPTHTT

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