SCHEMBL29079761

SCHEMBL29079761

O=[N+]([O-])c1ccc(Br)nc1NC[C@@H]1CCO1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
HCAR3 P49019 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL29079763 1.00 ALDH1A1 (0.45) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL29150025 0.85 MAPT (0.55) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL29150027 0.85 MAPT (0.55) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL27398353 0.85 MAPT (0.47) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL29480782 0.81 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL29052812 0.81 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL29052811 0.81 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL20266421 0.81 HCAR3 (0.51) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL20266420 0.81 HCAR3 (0.51) ALDH1A1KMT2APOLBMEN1HCAR3
SCHEMBL30200245 0.79 HCAR3 (0.43) ALDH1A1KMT2APOLBMEN1HCAR3

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
CN-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed
WO-2022042691-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-03-03 WO disclosed