SCHEMBL6060396

SCHEMBL6060396

O=C(O)c1ncc2ccccc2c1COCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
P4HTM Q9NXG6 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
AGTR1 P30556 1/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL6061171 0.89 MAPT (0.43) NPC1TDP1EGLN1KDM4EALDH1A1
SCHEMBL6061229 0.84 EGLN1 (0.50) EGLN1
SCHEMBL6060700 0.78 EGLN2 (0.50) P4HTMEGLN1
SCHEMBL6059867 0.78 EGLN1 (0.52) EGLN1
SCHEMBL8882366 0.78 ALDH1A1 (0.48) NPC1P4HTMMRGPRX4KDM4EALDH1A1
SCHEMBL2012015 0.72 HCAR2 (0.44) NR4A2
SCHEMBL6060399 0.70 P4HTM (0.36) NPC1TDP1P4HTMMRGPRX4KDM4E
SCHEMBL5072582 0.70 EGLN1 (0.49) EGLN1
SCHEMBL27651389 0.69 LMNA (0.45) NPC1TDP1KDM4EALDH1A1NR4A1
SCHEMBL27966145 0.69 P4HTM (0.59) P4HTMMRGPRX4EGLN1KDM4ENR4A1

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
EP-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO disclosed