SCHEMBL5808263

SCHEMBL5808263

CC(=O)ONC(=O)c1ncc2ccccc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.37
MAOA P21397 1/20 0.37
AKT1 P31749 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TACR3 P29371 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PRKDC P78527 1/20 0.34
ATR Q13535 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL523283 0.78 EGLN1 (0.51) EGLN2KMT2A
SCHEMBL27651389 0.77 LMNA (0.45) SMN1; SMN2NPC1AKT1TDP1ALDH1A1
SCHEMBL521828 0.76 EGLN1 (0.56)
SCHEMBL21610293 0.71 TDP1 (0.43) SMN1; SMN2NPC1AKT1TDP1ALDH1A1
SCHEMBL28911350 0.69 EGLN1 (0.68) EGLN2
SCHEMBL16624730 0.68 SMN1; SMN2 (0.48) SMN1; SMN2NPC1AKT1TDP1ALDH1A1
SCHEMBL17698006 0.67 PLK1 (0.62) SMN1; SMN2NPC1ALDH1A1KDM4ELMNA
SCHEMBL28912438 0.67 EGLN1 (0.59)
SCHEMBL28558839 0.67 EGLN1 (0.45) ALDH1A1MAPTKMT2A
SCHEMBL6852083 0.67 NPC1 (0.56) SMN1; SMN2NPC1ALDH1A1MAPTRAB9A

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-2006099610-A2 METHODS OF IDENTIFYING THERAPEUTIC TARGETS FOR THE TREATMENT OF VULVOVAGINAL ATROPHY WYETH (US) 2006-09-21 WO claimed