SCHEMBL5279355

SCHEMBL5279355

CCCCc1nnn(CC)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
MAOA P21397 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5274820 0.90 SMN1; SMN2 (0.37) ALDH1A1NPC1MAOASMN1; SMN2
SCHEMBL5278923 0.89 SLC9A1 (0.36) SMN1; SMN2
SCHEMBL5278499 0.89 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL5276855 0.86 SLC9A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5276637 0.83 NPC1 (0.33) ALDH1A1NPC1
SCHEMBL5279614 0.83 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL5274979 0.82 MAOB (0.38) ALDH1A1SMN1; SMN2
SCHEMBL5273261 0.80 SLC9A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5275930 0.79 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5281979 0.78

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed