SCHEMBL6920919

SCHEMBL6920919

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CYP2C19 P33261 2/20 0.40
F2 P00734 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6921074 0.94 TBXAS1 (0.48) TBXAS1HPGDALOX15HSD17B10MAPT
SCHEMBL6919975 0.84 F2 (0.44) TBXAS1HPGDALOX15HSD17B10MAPT
SCHEMBL6919778 0.83 ALDH1A1 (0.41) CYP1A2CYP2A6HDAC1ALDH1A1GAA
SCHEMBL6921278 0.83 TSHR (0.46) HPGDALOX15HSD17B10MAPTHTT
SCHEMBL6919541 0.82 HTT (0.41) HPGDALOX15HSD17B10MAPTHTT
SCHEMBL6922174 0.82 MAPT (0.43) HPGDALOX15HSD17B10MAPTHTT
SCHEMBL6922335 0.80 MAPT (0.41) HPGDALOX15HSD17B10MAPTHTT
SCHEMBL6919643 0.79 L3MBTL1 (0.46) TBXAS1HPGDALOX15HSD17B10MAPT
SCHEMBL6920008 0.78 L3MBTL1 (0.41) HPGDALOX15HSD17B10MAPTHTT
SCHEMBL6919131 0.78 ALDH1A1 (0.40) HPGDALOX15HSD17B10MAPTHTT

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