SCHEMBL21850198

SCHEMBL21850198

CC(CN/C=C(\C=N)[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 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
SCHEMBL21850201 0.74 MAPT (0.32) MAPT
Nitric Acid SCHEMBL10641276 0.67 ALDH1A1 (0.44) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL21850231 0.65 MAPT (0.31) MAPT
SCHEMBL20460999 0.65 ADH1B (0.35)
SCHEMBL20461064 0.64
SCHEMBL20053920 0.64 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22060817 0.64
SCHEMBL2337763 0.63 KMT2A (0.39) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL295996 0.63 LMNA (0.41) ALDH1A1GAAMAPTLMNAHTT
SCHEMBL22061464 0.62

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-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed