SCHEMBL256200

SCHEMBL256200

COc1cc(-c2nnc3n2CCCC3(C)Oc2cc(C)cc(F)c2)ccc1-c1cnc(C)o1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.63
PSEN2 P49810 11/20 0.63
APH1B Q8WW43 11/20 0.63
NCSTN Q92542 11/20 0.63
APH1A Q96BI3 11/20 0.63
PSENEN Q9NZ42 11/20 0.63
HSD11B1 P28845 4/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL139596 0.90 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138107 0.83 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155665 0.83 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155664 0.83 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139376 0.81 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157880 0.81 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138755 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL136743 0.78 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15092134 0.78 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156888 0.78 PSEN1 (0.72) 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-2012029991-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 WO disclosed