SCHEMBL6528641

SCHEMBL6528641

CN1C(=O)CSc2cc(NC(=O)OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
ALDH1A1 P00352 5/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 2/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 2/20 0.49
ATM Q13315 1/20 0.49
MGLL Q99685 1/20 0.48
USP2 O75604 3/20 0.48
MAPK1 P28482 6/20 0.48
CLK1 P49759 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL6530208 0.83 SYK (0.52) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL6532124 0.79 NPC1 (0.60) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8132914 0.77 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL3831190 0.77 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL6529620 0.75 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL592355 0.74 ALDH1A1 (0.54) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8116977 0.74 TSHR (0.48) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL5861471 0.73 MGLL (0.49) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL22808203 0.73 TP53 (0.61) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL6530293 0.72 SMN1; SMN2 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed