SCHEMBL7977583

SCHEMBL7977583

COc1cccc(NC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
LMNA P02545 7/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 2/20 0.50
FPR2 P25090 1/20 0.49
MAPK1 P28482 1/20 0.47
MPO P05164 2/20 0.47
MAPT P10636 2/20 0.47
AR P10275 2/20 0.47
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
POLB P06746 1/20 0.45
NTRK1 P04629 1/20 0.45
RECQL P46063 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL7980362 0.94 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7974397 0.91 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7963977 0.91 LMNA (0.49) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7975451 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7964021 0.90 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9AMAPK1
SCHEMBL7974465 0.90 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7977567 0.89 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9AMAPK1
SCHEMBL7977629 0.88 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7974305 0.88 MAPT (0.53) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7975380 0.88 LMNA (0.47) SMN1; SMN2LMNANPC1RAB9AMAPK1

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