SCHEMBL1849342

SCHEMBL1849342

CCCCCCC(C(N)=O)c1ccon1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22692965 0.77 FAAH (0.40) ATMPRSS1PRSS2PRSS3LMNA
SCHEMBL22363336 0.75 FAAH (0.39) ATMPRSS1PRSS2PRSS3LMNA
SCHEMBL675017 0.75 MMP9 (0.56) MMP9MMP8MMP13MEN1LMNA
SCHEMBL9395046 0.75 MMP9 (0.56) MMP9MMP8MMP13MEN1LMNA
SCHEMBL18248622 0.74 CYP2C19 (0.45) MMP9MMP8MMP13MEN1LMNA
SCHEMBL18248588 0.74 CYP2C19 (0.45) MMP9MMP8MMP13MEN1LMNA
SCHEMBL4938951 0.72 CYP2C19 (0.46) MMP9MMP8MMP13MEN1LMNA
SCHEMBL30437687 0.72 NR1I2 (0.39) ATMPRSS1PRSS2PRSS3LMNA
SCHEMBL18248573 0.72 MMP9 (0.47) MMP9MMP8MMP13LMNACYP3A4
SCHEMBL5470596 0.71 LMNA (0.40) MMP9MMP8MMP13LMNAKMT2A

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
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed