SCHEMBL28374875

SCHEMBL28374875

c1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.67
FFAR4 Q5NUL3 2/20 0.67
CACNA1B Q00975 3/20 0.61
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.58
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
ATM Q13315 1/20 0.58
POLB P06746 1/20 0.58
GNA15 P30679 1/20 0.56
PTGER3 P43115 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RECQL P46063 1/20 0.55
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54

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
SCHEMBL11192900 0.89 HIF1A (0.64) FFAR1FFAR4CACNA1BHTTMEN1
SCHEMBL22776468 0.89 GAA (0.74) FFAR1FFAR4CACNA1BHTTMEN1
SCHEMBL1924100 0.85 HTT (0.78) FFAR1FFAR4HTTMEN1GAA
SCHEMBL14043916 0.84 FFAR1 (0.70) FFAR1FFAR4CACNA1BPOLBGNA15
SCHEMBL6833672 0.84 LTA4H (0.73) FFAR1FFAR4CACNA1BHTTMEN1
SCHEMBL25405243 0.84 CA1 (0.64) FFAR1FFAR4CACNA1BMEN1GAA
SCHEMBL11216479 0.83 CACNA1B (0.58) FFAR1FFAR4CACNA1BHTTMEN1
N-Benzyl-4-Methoxyaniline SCHEMBL1757104 0.82 HIF1A (0.69) FFAR1HTTMEN1GAAKMT2A
SCHEMBL3692293 0.82 OPRM1 (0.65) FFAR1FFAR4MEN1KMT2AMAPT
SCHEMBL7912544 0.81 PTPRF (0.75) FFAR1FFAR4CACNA1BMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110923744-A Method for constructing secondary amine compound through reductive amination reaction of electrochemical aldehyde 五邑大学 2020-03-27 CN disclosed