SCHEMBL7980362

SCHEMBL7980362

COc1cc(NC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.45
AR P10275 4/20 0.45
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
FPR2 P25090 1/20 0.44
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
MPO P05164 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 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
SCHEMBL7977583 0.94 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7974397 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7975380 0.89 LMNA (0.47) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7963977 0.88 LMNA (0.49) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7977629 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7975451 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7964021 0.87 LMNA (0.47) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7974465 0.87 LMNA (0.47) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7974305 0.87 MAPT (0.53) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL7977567 0.86 LMNA (0.47) SMN1; SMN2MAPTLMNANPC1RAB9A

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed