SCHEMBL7799059

SCHEMBL7799059

C=C(C)/N=C\N(C)c1ccc(Nc2cccc3c(C)n(-c4cccc(OC)c4)nc23)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7795864 0.73 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2117079 0.68 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118801 0.67 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625745 0.67 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2116247 0.67 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2119259 0.67 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118790 0.67 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625743 0.67 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2119343 0.66 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118789 0.66 PSEN1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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