SCHEMBL29586181

SCHEMBL29586181

N#Cc1ccc(NC[C@@H]2CCO2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 5/20 0.57
HCAR3 P49019 1/20 0.57
KAT2B Q92831 1/20 0.55
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 9/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL26913989 1.00 KMT2A (0.57) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL26913995 1.00 KMT2A (0.57) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL22392063 0.90 MAPT (0.55) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL22392064 0.90 MAPT (0.55) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL5881547 0.85 KAT2B (0.60) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL29585713 0.83 KAT2B (0.53) KMT2AMEN1HCAR3KAT2BRAB9A
SCHEMBL27171094 0.83 KAT2B (0.53) KMT2AMEN1HCAR3KAT2BRAB9A
SCHEMBL27171091 0.83 KAT2B (0.53) KMT2AMEN1HCAR3KAT2BRAB9A
SCHEMBL4464340 0.81 KAT2B (0.56) KMT2AMEN1HCAR3KAT2BALDH1A1
SCHEMBL26914073 0.81 KMT2A (0.61) KMT2AMEN1HCAR3ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229049-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-08-23 EP disclosed
CN-116547278-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
WO-2022078380-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-04-21 WO disclosed