SCHEMBL7980374

SCHEMBL7980374

COc1ccc(CNC(=O)OCCSc2cccc(CSc3nc4ccccc4[nH]3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 6/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 4/20 0.52
MEN1 O00255 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 3/20 0.47
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AR P10275 3/20 0.44
HTT P42858 2/20 0.43
GALR3 O60755 1/20 0.43
STAT3 P40763 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7980407 0.93 NPC1 (0.48) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7975339 0.88 AR (0.49) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7975324 0.88 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7980362 0.85 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7974453 0.85 NPC1 (0.50) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7974403 0.85 RAB9A (0.47) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7977583 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7977629 0.84 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7964005 0.83 POLB (0.46) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL7977473 0.82 RAB9A (0.48) SMN1; SMN2RAB9AKMT2ANPC1MEN1

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