SCHEMBL16070320

SCHEMBL16070320

C[n+]1ccc(N=Nc2ccc(NCCSSCCNN)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10104459 0.93 MAPT (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL12531421 0.93 MAPT (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL10104464 0.90 ADRA2A (0.33) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL13924741 0.85 PABPC1 (0.36)
SCHEMBL12861149 0.82 ADRA2A (0.36) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL10104454 0.78 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL10104456 0.78 ADRA2A (0.35) ADRA2AADRA2BADRA2CCA12CA2
SCHEMBL16070367 0.74
SCHEMBL10104003 0.73
SCHEMBL10104298 0.72

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-2018847-B1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. ORÉAL L (FR) 2014-09-17 EP disclosed