SCHEMBL798853

SCHEMBL798853

Cc1nccn1Cc1cc(Cl)nc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KCNH2 Q12809 6/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
WDR5 P61964 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL798820 0.89 LMNA (0.55) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL31039336 0.85 LMNA (0.51) LMNAL3MBTL1KCNH2WDR5
SCHEMBL21712010 0.84 LMNA (0.50) LMNAL3MBTL1WDR5
SCHEMBL31270697 0.81 LMNA (0.74) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL21712022 0.81 WDR5 (0.47) LMNAL3MBTL1WDR5
SCHEMBL2950629 0.79 LMNA (0.71) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL81625 0.77 LMNA (0.63) LMNAL3MBTL1ALDH1A1POLBKMT2A
SCHEMBL169675 0.77 LMNA (0.68) LMNAL3MBTL1KCNH2ALDH1A1POLB
SCHEMBL31729500 0.77 LMNA (0.68) LMNAL3MBTL1KCNH2ALDH1A1POLB
Benzene SCHEMBL27902631 0.77 LMNA (0.63) LMNAL3MBTL1ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed