SCHEMBL7220774

SCHEMBL7220774

O=CC1CNCCN1Cc1ccc(NC(=O)c2cc(=O)c3c(O)cccc3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 1/20 0.52
ABCB1 P08183 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALOX5 P09917 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL7220763 0.78 POLH (0.58) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL7222661 0.78 POLH (0.62) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL7221113 0.77 NPC1 (0.69) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL7227797 0.73 POLH (0.56) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL25263266 0.70 POLH (1.00) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL30663840 0.70 POLH (1.00) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL7222827 0.70 MAOB (0.61) ABCB1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL7220586 0.70 POLH (0.59) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL7223766 0.70 POLH (0.59) POLHABCB1SMN1; SMN2NPC1RAB9A
SCHEMBL9048276 0.68 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNA

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
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed