SCHEMBL286604

SCHEMBL286604

CCCc1ncc(-c2ccc(Nc3cccc4cn(CC(F)(F)F)nc34)cc2)o1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
TRPV1 Q8NER1 2/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
VCP P55072 1/20 0.30

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
SCHEMBL286603 0.84 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL286267 0.76 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2117096 0.72 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2116891 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2121213 0.71 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2119335 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2117993 0.69 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2117870 0.66 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118645 0.65 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2116791 0.64 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-2427453-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. (US) 2012-03-14 EP disclosed
WO-2010145883-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-12-23 WO disclosed