SCHEMBL2790210

SCHEMBL2790210

CC(=O)Nc1c(Cl)cc(C(F)(F)F)cc1-n1cnc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 18/20 0.61
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MALT1 Q9UDY8 1/20 0.43

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
SCHEMBL7801589 0.77 ALDH1A1 (0.47)
SCHEMBL2790568 0.77 NR2E1 (0.57) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL7799638 0.77 NR2E1 (0.47) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL27970714 0.76 ALDH1A1 (0.50) NR2E1
SCHEMBL13261062 0.76 NR2E1 (1.00) NR2E1
SCHEMBL2788631 0.75 NR2E1 (0.45) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1927257 0.69 NR2E1 (0.84) NR2E1
SCHEMBL31729830 0.68 NR2E1 (0.74) NR2E1
SCHEMBL972166 0.68 NR2E1 (0.47) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL17134906 0.68 NR2E1 (0.62) 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 2 patents. 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
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO disclosed