SCHEMBL24455263

SCHEMBL24455263

COC(=O)c1cc(Br)c(N)c(NC[C@@H]2CCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
PTGER4 P35408 2/20 0.39
HPGD P15428 5/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR3 P49019 1/20 0.36
TDO2 P48775 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29640531 1.00 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL29640529 1.00 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL30232663 0.88 PTGER4 (0.43) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD
SCHEMBL24901946 0.88 PTGER4 (0.43) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD
SCHEMBL25279173 0.86 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD
SCHEMBL31463429 0.86 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD
SCHEMBL29159913 0.86 ALDH1A1 (0.41) KMT2AALDH1A1PTGER4HPGDKDM4E
SCHEMBL25404705 0.86 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD
SCHEMBL24960037 0.86 ALDH1A1 (0.41) KMT2AALDH1A1PTGER4HPGDKDM4E
SCHEMBL27176929 0.86 KDM4E (0.42) KMT2AALDH1A1SMN1; SMN2PTGER4HPGD

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
WO-2022109182-A9 POLYHETEROCYCLIC GLP-1 R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-08 WO disclosed
WO-2022109182-A1 POLYHETEROCYCLIC GLP-1 R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-05-27 WO disclosed