SCHEMBL7379705

SCHEMBL7379705

CC(C)CC(C(=O)O)N(CCc1cncn1Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7384893 0.88 CYP11B1 (0.32) LMNA
SCHEMBL7379194 0.83 ACE2 (0.42)
SCHEMBL7428948 0.82 CHRNB2 (0.34)
SCHEMBL7422200 0.78 KCNH2 (0.44) KCNH2
SCHEMBL5869833 0.77 ACE2 (0.48) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL7384484 0.76 CYP11B1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL7379062 0.75 ACE2 (0.34)
SCHEMBL7384141 0.74 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL7228664 0.72 ACE2 (0.39) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL7379324 0.72 NOS1 (0.51) GAAALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed