SCHEMBL5406499

SCHEMBL5406499

CC(C)Cn1ncc(N)c1NCC(C)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE9A O76083 1/20 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
SCHEMBL5408720 0.92 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5445681 0.87 MAPT (0.35) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5410623 0.86 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
Bromide SCHEMBL5402709 0.85 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14357575 0.85 MAPT (0.38) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14357594 0.81 TLR7 (0.31) MAPT
SCHEMBL5447124 0.81
SCHEMBL5410013 0.81
SCHEMBL5396481 0.80 LMNA (0.33) MAPT
SCHEMBL14357567 0.78 SMN1; SMN2 (0.38) MAPTSMN1; SMN2KDM4EALDH1A1

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-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed