SCHEMBL7964005

SCHEMBL7964005

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
PTGS2 P35354 1/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
AR P10275 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7974403 0.88 RAB9A (0.47) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7974453 0.87 NPC1 (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7980407 0.86 NPC1 (0.48) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7980369 0.85 RAB9A (0.46) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7964041 0.85 POLB (0.47) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7977473 0.84 RAB9A (0.48) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7980306 0.84 NPSR1 (0.49) POLBPTGS2RAB9ANPC1NPSR1
SCHEMBL7974397 0.84 SMN1; SMN2 (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7974298 0.84 POLB (0.50) POLBRAB9ANPC1ARSMN1; SMN2
SCHEMBL7975339 0.84 AR (0.49) POLBRAB9ANPC1ARSMN1; 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