SCHEMBL14420342

SCHEMBL14420342

C=C1C[C@@H](CO)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTR2C P28335 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 2/20 0.41
CTSG P08311 1/20 0.41
P2RX4 Q99571 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5765424 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5765432 0.85 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29589736 0.84 NPSR1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6649629 0.84 NPSR1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6649624 0.84 NPSR1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5765672 0.83 SMN1; SMN2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9977406 0.83 HTR2C (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5765666 0.83 SMN1; SMN2 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10289210 0.81 HTR2C (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7576828 0.80 PDK1 (0.40) 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
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed