SCHEMBL5264176

SCHEMBL5264176

CC(CCc1ccccc1)N(N=[N+]=[N-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
ACP3 P15309 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL3438911 0.69 ALDH1A1 (0.39) TSHRKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL23199903 0.68 NPC1 (0.42) TSHRKMT2AMEN1SMN1; SMN2HTT
SCHEMBL28690804 0.68 ERAP1 (0.44) TSHRKMT2AMEN1SMN1; SMN2HTT
SCHEMBL28690803 0.68 ERAP1 (0.44) TSHRKMT2AMEN1SMN1; SMN2HTT
SCHEMBL3659620 0.68 BCHE (0.40) TSHRKDM4EALDH1A1BCHE
SCHEMBL555308 0.67 KDM4E (0.57) TSHRKDM4EBCHE
Bicarbonate SCHEMBL27892668 0.67 TSHR (0.59) TSHRKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL22231450 0.67 MMP12 (0.46) SMN1; SMN2ANPEPERAP1ERAP2ACP3
SCHEMBL22231452 0.67 MMP12 (0.46) SMN1; SMN2ANPEPERAP1ERAP2ACP3
SCHEMBL22783583 0.67 SMN1; SMN2 (0.43) TSHRKDM4EKMT2AMEN1SMN1; SMN2

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed