SCHEMBL5712487

SCHEMBL5712487

CCCC(CCC)N[C@@H](CCC)C(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.68
PSEN2 P49810 17/20 0.68
APH1B Q8WW43 17/20 0.68
NCSTN Q92542 17/20 0.68
APH1A Q96BI3 17/20 0.68
PSENEN Q9NZ42 17/20 0.68
CDK2 P24941 3/20 0.62
CCNE1 P24864 2/20 0.62
CDK5 Q00535 2/20 0.62
CCNT1 O60563 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49

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
SCHEMBL5712616 0.94 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5712530 0.92 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5712462 0.84 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8257205 0.83 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8258691 0.83 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5712539 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875832 0.82 CDK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8252505 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8258556 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8258804 0.80 PSEN1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735292-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP disclosed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed