SCHEMBL7214548

SCHEMBL7214548

CN(C)/C=C\C(=O)Cc1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 7/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 10/20 0.39
HTT P42858 5/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL7214550 1.00 RECQL (0.46) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL16332626 0.77 RECQL (0.53) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL1886874 0.75 RECQL (0.58) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL2438076 0.75 HTT (0.61) RECQLALDH1A1GAAKDM4EMAPT
SCHEMBL38657127 0.75 HTT (0.61) RECQLALDH1A1GAAKDM4EMAPT
SCHEMBL17320231 0.75 HTT (0.61) RECQLALDH1A1GAAKDM4EMAPT
SCHEMBL2438072 0.75 HTT (0.61) RECQLALDH1A1GAAKDM4EMAPT
SCHEMBL2371002 0.73 GABRP (0.62) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL29421806 0.73 GABRP (0.62) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL8136095 0.72 RECQL (0.55) RECQLALDH1A1GAAMAPTCYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509361-B1 Inhibit the activity of p38 MAP kinase. Also contemplated by the invention are processes for the preparation of the contemplated compounds and for the use of a contemplated compound in treating a mammalian host having a p38 kinase or PHARMACIA CORPORATION 2003-01-21 US disclosed