SCHEMBL7980407

SCHEMBL7980407

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 4/20 0.48
RECQL P46063 1/20 0.48
AR P10275 5/20 0.46
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 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
SCHEMBL7975339 0.93 AR (0.49) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7980374 0.93 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7974403 0.92 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7975324 0.90 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7974453 0.88 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7974397 0.88 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7974298 0.87 POLB (0.50) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7964005 0.86 POLB (0.46) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7975337 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL7975340 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2LMNARECQL

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