SCHEMBL14293151

SCHEMBL14293151

Bc1c([N+](=O)[O-])nc(C)n1CC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
LMNA P02545 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 8/20 0.43
POLB P06746 1/20 0.43
HBB P68871 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
JAK2 O60674 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HKDC1 Q2TB90 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8823870 0.79 MAPT (0.49) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL3192831 0.79 MAPT (0.61) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL11765388 0.73 MAPT (0.46) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL8482509 0.65 LMNA (0.55) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL861476 0.65 MAPT (0.57) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL15825843 0.65 PTGS1 (0.42) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL16339857 0.64 LMNA (0.53) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL13849452 0.64 MAPT (0.46) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL64091 0.63 ALDH1A1 (0.42) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL13408654 0.62 MAPT (0.74) MAPTLMNAALDH1A1HTTNPSR1

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
WO-2008024364-A2 HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS REDPOINT BIO CORPORATION (US) 2008-02-28 WO disclosed