SCHEMBL7963977

SCHEMBL7963977

COc1ccc2[nH]c(SCc3cccc(SCCOC(=O)Nc4ccccc4)c3C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
PRMT5 O14744 3/20 0.49
WDR77 Q9BQA1 3/20 0.49
POLB P06746 1/20 0.49
FPR2 P25090 2/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.43
FPR1 P21462 1/20 0.43
CYP2E1 P05181 5/20 0.42
CYP2C8 P10632 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2B6 P20813 5/20 0.42
CYP2C19 P33261 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 4/20 0.42
TP53 P04637 2/20 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
SCHEMBL7977583 0.91 SMN1; SMN2 (0.50) LMNAPRMT5WDR77POLBFPR2
SCHEMBL7974397 0.89 SMN1; SMN2 (0.50) LMNAPOLBKMT2AMAPTGAA
SCHEMBL7980362 0.88 SMN1; SMN2 (0.48) LMNAPRMT5WDR77POLBFPR2
SCHEMBL7974305 0.86 MAPT (0.53) LMNAPOLBMEN1HPGDKMT2A
SCHEMBL7977629 0.85 SMN1; SMN2 (0.48) LMNAPRMT5WDR77POLBMEN1
SCHEMBL7977585 0.84 POLB (0.48) LMNAPRMT5WDR77POLBMEN1
SCHEMBL7975451 0.83 SMN1; SMN2 (0.56) LMNAPRMT5WDR77POLBFPR2
SCHEMBL7964021 0.83 LMNA (0.47) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL7974465 0.83 LMNA (0.47) LMNAPOLBMEN1HPGDKMT2A
SCHEMBL7975380 0.83 LMNA (0.47) LMNAPOLBMEN1HPGDKMT2A

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