SCHEMBL7221925

SCHEMBL7221925

O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(=O)c2c(O)cc(O)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
MAPK1 P28482 3/20 0.62
TP53 P04637 2/20 0.62
ALOX5 P09917 1/20 0.57
ACHE P22303 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HIF1A Q16665 3/20 0.51
EPAS1 Q99814 3/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL7221113 0.89 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7221843 0.87 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7221186 0.81 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7222661 0.80 POLH (0.62) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7220763 0.77 POLH (0.58) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7227797 0.75 POLH (0.56) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7228016 0.73 POLH (0.45) ALOX5ACHEALDH1A1MAPT
SCHEMBL7220707 0.71 HIF1A (0.53) NPC1RAB9ASMN1; SMN2MAPK1TP53
Hydrochloric Acid SCHEMBL7221509 0.71 HIF1A (0.54) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL7229907 0.70 MAOB (0.63) NPC1RAB9ASMN1; SMN2MAPK1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US claimed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP claimed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed