SCHEMBL5047597

SCHEMBL5047597

CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)O.NC(=O)c1cnc(NCc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.51
PSEN2 P49810 17/20 0.51
APH1B Q8WW43 17/20 0.51
NCSTN Q92542 17/20 0.51
APH1A Q96BI3 17/20 0.51
PSENEN Q9NZ42 17/20 0.51
HDAC3 O15379 2/20 0.47
NCOR1 O75376 2/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5047605 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5047601 0.84 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5041210 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5047135 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5044908 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1793314 0.76 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6469219 0.76 HDAC3 (0.64) HDAC3NCOR1HDAC1HDAC2HDAC8
SCHEMBL2976475 0.76 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5044823 0.76 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5044813 0.75 PSEN1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed