SCHEMBL28487229

SCHEMBL28487229

NC(C(=O)O)c1ccc(-c2ccccc2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
GRM1 Q13255 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 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
SCHEMBL11841217 0.81 CRHBP (0.44) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL28487774 0.80 MEN1 (0.50) AKR1C2AKR1C1GRM1MEN1CYP1A2
SCHEMBL28494909 0.80 FFAR1 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1GRM1
SCHEMBL11844019 0.80 CRHBP (0.43) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL28494831 0.80 GRM1 (0.61) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL11516331 0.79 GRM1 (0.46) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL25240807 0.78 IDO1 (0.43) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL1439143 0.78 IDO1 (0.43) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL29890267 0.78 IDO1 (0.43) GRM1MEN1CYP1A2KMT2ATDP1
SCHEMBL28487773 0.76 DHFR (0.46) GRM1MEN1CYP1A2KMT2ATDP1

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
CN-111848430-B Synthetic method of 2- ([ 1,1' -biphenyl ] -4-yl) -2-glycine compound 马鞍山诺恩特医药科技有限公司 2022-12-09 CN disclosed
CN-111848430-A Synthesis method of 2- ([1,1' -biphenyl ] -4-yl) -2-glycine compound 苏州爱玛特生物科技有限公司 2020-10-30 CN disclosed