SCHEMBL5280463

SCHEMBL5280463

CCCCCC1(c2ccccc2)N=NN=N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.46
MMP9 P14780 6/20 0.46
MMP3 P08254 2/20 0.46
OPRM1 P35372 4/20 0.39
OPRL1 P41146 4/20 0.39
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL5276415 0.98 MMP2 (0.49) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL5279220 0.94 OPRM1 (0.44) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL5275530 0.86 KDM4E (0.35) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL3938866 0.79 OPRM1 (0.37) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL5285392 0.77 TSHR (0.37) OPRM1OPRL1GAAKDM4EALDH1A1
SCHEMBL29139005 0.74 OPRM1 (0.44) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL5282068 0.73 MMP2 (0.49) MMP2MMP9MMP3MMP8MMP13
SCHEMBL5274739 0.72 MMP2 (0.51) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4304162 0.69 MMP2 (0.50) MMP2MMP9MMP3OPRM1OPRL1
SCHEMBL7576811 0.69 MMP2 (0.50) MMP2MMP9MMP3OPRM1OPRL1

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