SCHEMBL20159967

SCHEMBL20159967

CSc1cccc(Oc2nc(Br)nn2C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PTGER4 P35408 1/20 0.32
MPO P05164 1/20 0.31
NOTUM Q6P988 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL20138672 0.82 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138690 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20140248 0.79 F10 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20159966 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20159274 0.72 HTR2A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138683 0.72
SCHEMBL20142991 0.72 MAPT (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20138803 0.72 SCN4A (0.38) MEN1KMT2ACYP1A2
SCHEMBL20138797 0.72 KDR (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20142944 0.70 AR (0.33) 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-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed