SCHEMBL6919975

SCHEMBL6919975

CCn1nc(-c2ccccn2)c(C(=O)c2cccnc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TBXAS1 P24557 1/20 0.41
CYP2A6 P11509 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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 0.86 TBXAS1 (0.48) ADORA2AADORA1KDM4EHSD17B10NPC1
SCHEMBL6918809 0.84 F2 (0.46) F2F12KDM4EHSD17B10NPC1
SCHEMBL6920919 0.84 TBXAS1 (0.52) F2KDM4EHSD17B10NPC1RAB9A
SCHEMBL6921278 0.80 TSHR (0.46) KDM4EHSD17B10HTTMAPTHPGD
SCHEMBL6922174 0.79 MAPT (0.43) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL6919541 0.77 HTT (0.41) KDM4EHSD17B10HTTMAPTHPGD
SCHEMBL6922335 0.77 MAPT (0.41) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL6918790 0.77 LMNA (0.42) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL6919643 0.76 L3MBTL1 (0.46) HSD17B10NPC1RAB9ATBXAS1HTT
SCHEMBL6919131 0.75 ALDH1A1 (0.40) KDM4EHSD17B10NPC1RAB9AHTT

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