SCHEMBL7974453

SCHEMBL7974453

CNC(=O)OCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
AR P10275 5/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 4/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
BCHE P06276 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 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
SCHEMBL7977473 0.90 RAB9A (0.48) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7974397 0.90 SMN1; SMN2 (0.50) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7974298 0.89 POLB (0.50) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7980407 0.88 NPC1 (0.48) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7963992 0.88 AR (0.50) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7964041 0.88 POLB (0.47) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7974403 0.87 RAB9A (0.47) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7964005 0.87 POLB (0.46) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7975380 0.87 LMNA (0.47) NPC1RAB9AARPOLBSMN1; SMN2
SCHEMBL7964035 0.86 POLB (0.52) NPC1RAB9AARPOLBSMN1; SMN2

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