SCHEMBL30027964

SCHEMBL30027964

Clc1nnc(COc2cccc(Br)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 5/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
HPN P05981 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
FFAR1 O14842 2/20 0.32

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
SCHEMBL24959005 1.00 HTR7 (0.43) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL30029312 0.82 HTR7 (0.47) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24958809 0.82 HTR7 (0.47) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24959192 0.80 HTR7 (0.44) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL30027652 0.80 HTR7 (0.44) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24958950 0.79 TRPM5 (0.45) HTR7KDM4E
SCHEMBL30029030 0.79 TRPM5 (0.45) HTR7KDM4E
SCHEMBL24960044 0.79 HTR7 (0.40) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL31438106 0.79 HTR7 (0.43) HTR7RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24959231 0.79 HTR7 (0.40) HTR7RAB9ANPC1SMN1; SMN2MAPT

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