SCHEMBL5229211

SCHEMBL5229211

Nc1cnn2c([As](CCO)CCO)ccnc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.35
MAP2K1 Q02750 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL127121 0.71 SMPD3 (0.43) SMPD3MAP2K1CLK4DYRK1B
SCHEMBL127655 0.71 SMPD3 (0.35) SMPD3MAP2K1CLK4DYRK1B
SCHEMBL125976 0.70 SMPD3 (0.50) SMPD3MAP2K1CLK4DYRK1B
SCHEMBL28748972 0.67 SMPD3 (0.32) SMPD3
Hydrochloric Acid SCHEMBL462160 0.66 SMPD3 (0.42) SMPD3MAP2K1CLK4DYRK1B
SCHEMBL457580 0.66 GPR119 (0.33) SMPD3
SCHEMBL5690062 0.65 KCNQ3 (0.36) SMPD3
SCHEMBL14941124 0.65 SMPD3 (0.31) SMPD3
SCHEMBL7453201 0.65 SMPD3 (0.41) SMPD3MAP2K1CLK4DYRK1B
SCHEMBL15067525 0.64 SMPD3 (0.37) SMPD3CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827364-A1 HAIR TREATMENT KIT COMPRISING DYEING AND BLEACHING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-09-05 EP disclosed
EP-1802266-A1 DEPILATION AGENT OR COLOR-CHANGING OR SHAPE-CHANGING FIBER TREATMENT AGENTS WITH ACTIVE SUBSTANCES FOR STIMULATING THE RELEASE OF 5G(B)-ENDORPHIN IN KERATINOCYTES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-07-04 EP disclosed
WO-2006066640-A1 HAIR TREATMENT KIT COMPRISING DYEING AND BLEACHING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-06-29 WO disclosed
WO-2006042626-A1 DEPILATION AGENT OR COLOR-CHANGING OR SHAPE-CHANGING FIBER TREATMENT AGENTS WITH ACTIVE SUBSTANCES FOR STIMULATING THE RELEASE OF $G(B)-ENDORPHIN IN KERATINOCYTES HANS SCHWARZKOPF & HENKEL GMBH & CO. KG (DE) 2006-04-27 WO disclosed