SCHEMBL5282068

SCHEMBL5282068

CCCCCC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
SIGMAR1 Q99720 1/20 0.39
DNM1 Q05193 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
PKM P14618 1/20 0.37
MMP3 P08254 1/20 0.36
CSNK1E P49674 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5274739 0.98 MMP2 (0.51) MMP2MMP9MMP8MMP13SIGMAR1
SCHEMBL5274927 0.95 MMP2 (0.43) MMP2MMP9MMP8MMP13SIGMAR1
SCHEMBL5275325 0.87 MMP2 (0.38) MMP2MMP9MMP8MMP13MEN1
SCHEMBL5280214 0.80 TP53 (0.41) MMP2MMP9MMP8MMP13TP53
SCHEMBL5438308 0.76 L3MBTL1 (0.42) SIGMAR1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5277353 0.74 TSHR (0.37) DNM1SMN1; SMN2GAA
SCHEMBL5280463 0.73 MMP2 (0.46) MMP2MMP9MMP8MMP13MEN1
SCHEMBL5280457 0.72 TSHR (0.35)
SCHEMBL5282819 0.72 TSHR (0.42) DNM1MEN1KMT2A
SCHEMBL6002827 0.72 ALDH1A1 (0.39) SMN1; SMN2MAPK1ALOX12HTTKCNH2

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
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed