SCHEMBL255812

SCHEMBL255812

COCC1(Cc2ccc(C)c(F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.61
PSEN2 P49810 12/20 0.61
APH1B Q8WW43 12/20 0.61
NCSTN Q92542 12/20 0.61
APH1A Q96BI3 12/20 0.61
PSENEN Q9NZ42 12/20 0.61
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 2/20 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
SCHEMBL136648 0.95 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL136642 0.87 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138917 0.87 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15092171 0.86 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138918 0.80 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL137941 0.80 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138777 0.80 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138784 0.79 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138763 0.79 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL136649 0.79 PSEN1 (0.79) 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