SCHEMBL8776730

SCHEMBL8776730

CCCCOc1nc(-c2ccc(C)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N.CCCCOc1nc(-c2cccc(CC)c2)c(NS(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GPR55 Q9Y2T6 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 2/20 0.38
TP53 P04637 1/20 0.38
SCN9A Q15858 4/20 0.38
WDR5 P61964 1/20 0.37

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
SCHEMBL8419332 0.93 ALDH1A1 (0.43) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8419987 0.89 MCL1 (0.42) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8420941 0.85 MEN1 (0.52) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8421303 0.84 HTT (0.48) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL8421210 0.84 HPGD (0.42) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8419767 0.84 ALDH1A1 (0.42) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8894050 0.81 MEN1 (0.48) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8423218 0.81 HTT (0.50) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL8419297 0.80 TUBB4A (0.47) KDM4EALDH1A1LMNAHTTKMT2A
SCHEMBL8419788 0.80 LMNA (0.46) KDM4EALDH1A1LMNAHTTKMT2A

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-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed