SCHEMBL6068978

SCHEMBL6068978

CCN(C)c1c(N)cnn1CCCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 3/20 0.30
ALOX15 P16050 2/20 0.30
ALOX12 P18054 2/20 0.30
CASP1 P29466 2/20 0.30
HSD17B10 Q99714 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
CASP7 P55210 1/20 0.30
ALPG P10696 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP13 P45452 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
SCHEMBL6068678 0.87 APP (0.35)
SCHEMBL6068765 0.86 PTGIR (0.31)
SCHEMBL6069026 0.83 APP (0.34)
SCHEMBL6068676 0.79
SCHEMBL6068802 0.79 CYP2D6 (0.33) KMT2AALDH1A1MAPTLMNA
SCHEMBL5419030 0.78 APP (0.35)
SCHEMBL6068826 0.77
SCHEMBL5425430 0.76 CDK1 (0.32)
SCHEMBL5417295 0.75 APP (0.31)
SCHEMBL5433620 0.74 APP (0.34)

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-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed