SCHEMBL5403662

SCHEMBL5403662

CC(C)CCn1ncc(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TSHR P16473 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SORT1 Q99523 1/20 0.31
HTR2A P28223 1/20 0.30
DHFR P00374 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
SCHEMBL5163069 0.86 HTR2A (0.36) HTR2CTSHRHTR2A
SCHEMBL5394284 0.86 CSNK2A1 (0.34) HTR2CTSHRHTR2A
SCHEMBL5403681 0.83 TSHR (0.30) TSHR
SCHEMBL5424913 0.83 CHRNB2 (0.37) TSHR
SCHEMBL31319755 0.83 HTR2C (0.34) SMN1; SMN2HTR2CKEAP1NFE2L2TLR9
SCHEMBL14445288 0.83 CHRM2 (0.32) TSHR
SCHEMBL2923881 0.83 TSHR (0.34) TSHR
SCHEMBL5382959 0.82 TSHR (0.33) HTR2CTSHRHTR2A
SCHEMBL14445333 0.82 HTR2C (0.32) HTR2CHTR2A
SCHEMBL5398742 0.82 TSHR (0.37) HTR2CTSHRHTR2A

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
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed
US-7285136-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-10-23 US disclosed