SCHEMBL7974388

SCHEMBL7974388

COc1c(CSc2nc3ccccc3[nH]2)cccc1OCCOC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MPO P05164 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 4/20 0.46
RECQL P46063 1/20 0.46
PTGS2 P35354 1/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PTBP1 P26599 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AR P10275 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
SCHEMBL7964002 0.88 NPC1 (0.50) SMN1; SMN2NPSR1RAB9ANPC1MPO
SCHEMBL7977607 0.82 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7974397 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7977583 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7980362 0.75 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7975380 0.75 LMNA (0.47) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7974305 0.73 MAPT (0.53) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7963977 0.73 LMNA (0.49) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL7975451 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MPOMAPT
SCHEMBL7964021 0.72 LMNA (0.47) SMN1; SMN2RAB9ANPC1MPOMAPT

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