SCHEMBL7799638

SCHEMBL7799638

Cc1cn(-c2cc(C(F)(F)F)cc(Cl)c2N=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 12/20 0.47
PSEN1 P49768 7/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
MALT1 Q9UDY8 1/20 0.37
KCNH2 Q12809 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
SCHEMBL13361920 0.82 PSEN1 (0.49) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL2790568 0.80 NR2E1 (0.57) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL2788631 0.78 NR2E1 (0.45) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL2790210 0.77 NR2E1 (0.61) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL12361914 0.72 NR2E1 (0.64) NR2E1
SCHEMBL3323753 0.68 NR2E1 (0.46) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL13361926 0.68 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3329200 0.68 NR2E1 (0.54) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL28847364 0.67 NR2E1 (0.47) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL22745472 0.67 NR2E1 (0.60) NR2E1

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
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO disclosed