SCHEMBL5280214

SCHEMBL5280214

CCC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ELANE P08246 3/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CALM1 P0DP23 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL5282506 0.87 MAOB (0.43) TP53MAOAMAOBCALM1ALDH1A1
SCHEMBL5275325 0.84 MMP2 (0.38) TP53ELANEMAOAMAOBMMP2
SCHEMBL5274927 0.81 MMP2 (0.43) TP53ELANEMMP2MMP9MMP8
SCHEMBL5282068 0.80 MMP2 (0.49) TP53MMP2MMP9MMP8MMP13
SCHEMBL6002831 0.79 TSHR (0.41) MAOAMAOBCALM1ALDH1A1TSHR
SCHEMBL28573761 0.79 TP53 (0.41) TP53ELANEMAOAMAOBMMP2
SCHEMBL6002827 0.79 ALDH1A1 (0.39) ELANEMAOAMAOBNPSR1CALM1
SCHEMBL10967375 0.79 MAOA (0.38) TP53MAOAMAOBCALM1ALDH1A1
SCHEMBL5278439 0.79 TAAR1 (0.35) TP53ELANEMAOAMAOBMMP9
SCHEMBL5279760 0.79 SLC6A2 (0.35) TP53ELANEMAOAMAOBOPRM1

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