SCHEMBL7145183

SCHEMBL7145183

CC(C)CCC1c2ccccc2C=NN1/C=C/C=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 1/20 0.31
▸ PSEN1 P49768 4/20 0.30
▸ PSEN2 P49810 4/20 0.30
▸ APH1B Q8WW43 4/20 0.30
▸ NCSTN Q92542 4/20 0.30
▸ APH1A Q96BI3 4/20 0.30
▸ PSENEN Q9NZ42 4/20 0.30

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
SCHEMBL7139914 0.86 ALDH1A1 (0.31) —
SCHEMBL7140726 0.84 CYP3A4 (0.32) —
SCHEMBL7138469 0.83 ALDH1A1 (0.32) —
SCHEMBL7142388 0.81 — —
SCHEMBL7138489 0.80 ALDH1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7141507 0.78 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7141506 0.76 — —
SCHEMBL7140994 0.75 ALDH1A1 (0.32) —
SCHEMBL7138477 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7145644 0.71 ALDH1A1 (0.42) 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-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 — — EP disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 — — EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 — — WO disclosed
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