SCHEMBL5227404

SCHEMBL5227404

CC(C)N1C(=O)[C@H](N(C(=O)Cc2cc(F)cc(F)c2)C(=O)[C@H](C)N)[C@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.35
PSEN1 P49768 10/20 0.33
PSEN2 P49810 10/20 0.33
APH1B Q8WW43 10/20 0.33
NCSTN Q92542 10/20 0.33
APH1A Q96BI3 10/20 0.33
PSENEN Q9NZ42 10/20 0.33
GSAP A4D1B5 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GSK3B P49841 1/20 0.31
ADK P55263 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL3342670 1.00 XIAP (0.35) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL3342704 0.91 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3341068 0.90 MME (0.38) KMT2AMEN1F2F10PRSS1
SCHEMBL3343364 0.87 MEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5224527 0.87 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343473 0.87 MEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344935 0.86 F10 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3349431 0.86 MEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3555507 0.85 F10 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5225483 0.83 F10 (0.42) KMT2AMEN1F2F10PRSS1

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
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed