SCHEMBL6662844

SCHEMBL6662844

O=C(O)C1CCc2[nH]c(=O)n(CCc3ccccc3)c(=O)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
HSD17B10 Q99714 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.38
HTR2A P28223 1/20 0.38
GLA P06280 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11845357 0.70 HTR1B (0.47) HPGDKDM4EKMT2A
SCHEMBL6662842 0.70 SMN1; SMN2 (0.45) HPGDALDH1A1GAAADORA2BADORA3
SCHEMBL31078875 0.68 NR2E1 (0.60) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL12660565 0.68 NR2E1 (0.60) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL2309545 0.68 NR2E1 (0.60) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL2313731 0.65 TAAR1 (0.50) KDM4EHSD17B10MAPK1
SCHEMBL11837496 0.65 PARP14 (0.42) HSD17B10MAPK1
SCHEMBL7666158 0.65 MAPKAPK2 (0.59)
SCHEMBL28562224 0.64 KMT2A (0.60) ALDH1A1KDM4EGAAHSD17B10ADORA2B
SCHEMBL1519356 0.64 HTR2A (0.75) L3MBTL1POLBHTR2A

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-2004014921-A1 5,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed