SCHEMBL7974465

SCHEMBL7974465

CC(=O)c1cccc(NC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MPO P05164 2/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 2/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AR P10275 2/20 0.43
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7975451 0.94 SMN1; SMN2 (0.56) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7974397 0.92 SMN1; SMN2 (0.50) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7964021 0.90 LMNA (0.47) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7977567 0.90 LMNA (0.47) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7977583 0.90 SMN1; SMN2 (0.50) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7963991 0.88 LMNA (0.45) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7977623 0.88 LMNA (0.55) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7980362 0.87 SMN1; SMN2 (0.48) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7975380 0.87 LMNA (0.47) LMNASMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7964043 0.86 MAPT (0.50) LMNASMN1; SMN2MAPK1RAB9ANPC1

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