SCHEMBL5281063

SCHEMBL5281063

CCCCCCC1(CCCC)N=NN=N1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.40
DNM1 Q05193 8/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL5280457 0.97 TSHR (0.35) TSHRTHRBLMNA
SCHEMBL5282819 0.97 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5277353 0.95 TSHR (0.37) TSHRTHRBDNM1GAALMNA
SCHEMBL5274462 0.93 TSHR (0.38) TSHRTHRBDNM1GAAALDH1A1
SCHEMBL5281079 0.92 TSHR (0.33) TSHRTHRBLMNA
SCHEMBL5279329 0.88 TSHR (0.38) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5277577 0.87 LMNA (0.30) TSHRLMNA
SCHEMBL3819859 0.87 TSHR (0.33) TSHRTHRB
SCHEMBL5281313 0.85 TSHR (0.33) TSHRTHRB
SCHEMBL3251612 0.85 TSHR (0.33) TSHRTHRB

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