SCHEMBL30027652

SCHEMBL30027652

COc1nnc(COc2cccc(Br)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 3/20 0.35
FFAR1 O14842 2/20 0.34
RAB9A P51151 3/20 0.33
PTPRE P23469 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24959192 1.00 HTR7 (0.44) HTR7POLBALDH1A1MAPTFFAR1
SCHEMBL24958756 0.88 HTR7 (0.43) HTR7POLBALDH1A1MAPTRAB9A
SCHEMBL31438106 0.88 HTR7 (0.43) HTR7POLBALDH1A1MAPTRAB9A
SCHEMBL30029312 0.83 HTR7 (0.47) HTR7POLBALDH1A1MAPTRAB9A
SCHEMBL24958809 0.83 HTR7 (0.47) HTR7POLBALDH1A1MAPTRAB9A
SCHEMBL24956394 0.82 HTR7 (0.38) HTR7FFAR1PKM
SCHEMBL31438105 0.82 HTR7 (0.38) HTR7FFAR1PKM
SCHEMBL29160032 0.82 HTR7 (0.38) HTR7PKM
SCHEMBL24959011 0.81 HTR7 (0.39) HTR7MAPT
SCHEMBL30027761 0.81 HTR7 (0.39) HTR7MAPT

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