SCHEMBL30028461

SCHEMBL30028461

O=C(O)c1ccc2nc[nH]c2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
NAPRT Q6XQN6 1/20 0.37
PARP1 P09874 3/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CAMKK2 Q96RR4 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC2A1 P11166 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL10713223 0.84 KDM4E (0.37) KDM4EASPHKDM8PARP1HTT
SCHEMBL30798651 0.79 PARP1 (0.37) KDM4EASPHKDM8PARP1HTT
SCHEMBL2425108 0.79 CYP19A1 (0.39) KDM4EPARP1HTTSMN1; SMN2ALDH1A1
SCHEMBL18226070 0.79 PARP1 (0.37) KDM4EASPHKDM8PARP1HTT
SCHEMBL453513 0.75 KEAP1 (0.49) KDM4ENAPRTPARP1HTTSMN1; SMN2
SCHEMBL29743300 0.74 CHEK2 (0.36) KDM4CHSD17B1HSD17B2
SCHEMBL5990597 0.74 KEAP1 (0.47) KDM4ENAPRTPARP1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL22165595 0.74 KEAP1 (0.47) KDM4ENAPRTPARP1HTTSMN1; SMN2
SCHEMBL1193119 0.74 PARP1 (0.39) KDM4EPARP1ALDH1A1
SCHEMBL29804759 0.74 PARP1 (0.39) KDM4EPARP1ALDH1A1

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-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed