SCHEMBL3404531

SCHEMBL3404531

[CH2][C@@H](Cc1ccccc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MGLL Q99685 2/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL1219646 0.85 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1219647 0.85 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7796626 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25477166 0.83 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2747548 0.82 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2748603 0.80 NAALAD2 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1221478 0.78 ITGA4 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2747164 0.78 KDM4A (0.57) MAPT
SCHEMBL1221477 0.78 ITGA4 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2318778 0.78 MEN1 (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO disclosed