SCHEMBL5716488

SCHEMBL5716488

Cc1cc(N(C)C)n2nc(C)c([AsH2])c2n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.45
CRHR1 P34998 18/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL128209 0.80 ENPP1 (0.45) ENPP1CRHR1HTR6
Hydrochloric Acid SCHEMBL7827431 0.79 ENPP1 (0.44) ENPP1CRHR1HTR6
SCHEMBL7815444 0.70 HTR6 (0.41) ENPP1CRHR1HTR6
SCHEMBL7827118 0.68 ENPP1 (0.50) ENPP1HTR6
SCHEMBL2027089 0.62 ENPP1 (1.00) ENPP1
SCHEMBL14350206 0.62 CRHR1 (0.63) CRHR1
SCHEMBL5789272 0.60 CRHR1 (0.60) CRHR1
SCHEMBL13134040 0.60 KDM4E (0.51) HTR6
SCHEMBL126427 0.58 KDM4E (0.58) HTR6
SCHEMBL18290568 0.58 KDM4E (0.43) CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682229-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN Henkel Kommanditgesellschaft auf Aktien (DE) 2006-07-26 EP disclosed
WO-2005034896-A1 AGENT FOR MINIMISING THE COLORATION OF THE SKIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-04-21 WO disclosed