SCHEMBL6068853

SCHEMBL6068853

COCCCn1ncc(N)c1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SPIN1 Q9Y657 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
GAA P10253 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC29A1 Q99808 1/20 0.33

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
SCHEMBL6068941 0.81 CA2 (0.31)
SCHEMBL6068710 0.81 HRH4 (0.36) HRH3
SCHEMBL6068715 0.80 CNR2 (0.38) SMPD3PDPK1
SCHEMBL6068673 0.77 SIGMAR1 (0.35) HRH3SIGMAR1GAASMPD3
SCHEMBL5421688 0.76 ALDH1A1 (0.39) KMT2AGAA
SCHEMBL29314129 0.74 ALDH1A1 (0.38) KMT2A
SCHEMBL17076702 0.73 MPO (0.36)
SCHEMBL17076654 0.73 ALDH1A1 (0.34) KMT2A
SCHEMBL6068615 0.73 ALDH1A1 (0.37) MEN1KMT2ACYP2C9CYP2C19CYP3A4
SCHEMBL5418741 0.71 ALDH1A1 (0.35) GAA

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