SCHEMBL7227797

SCHEMBL7227797

CS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3cc(=O)c4c(O)cccc4o3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 1/20 0.56
ABCB1 P08183 3/20 0.55
NPC1 O15118 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 5/20 0.46
ALOX5 P09917 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL7222661 0.86 POLH (0.62) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL7221113 0.85 NPC1 (0.69) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL7220763 0.85 POLH (0.58) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL7221925 0.75 NPC1 (0.62) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7221843 0.74 NPC1 (0.63) NPC1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7220774 0.73 POLH (0.52) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL25263266 0.73 POLH (1.00) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL30663840 0.73 POLH (1.00) POLHABCB1NPC1KMT2ARAB9A
SCHEMBL7229907 0.71 MAOB (0.63) ABCB1NPC1KMT2ARAB9AMEN1
SCHEMBL7221186 0.71 NPC1 (0.75) ABCB1NPC1KMT2ARAB9AMEN1

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