SCHEMBL25828131

SCHEMBL25828131

CCOC(=O)c1ccc(NCc2c(F)cc(Br)cc2F)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.58
GAA P10253 3/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
PLEC Q15149 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
RAB9A P51151 2/20 0.41

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
SCHEMBL25828139 0.87 PTGER4 (0.56) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL25828108 0.83 MAPT (0.64) PTGER4GAAALDH1A1MAPTKDM4E
SCHEMBL25256734 0.80 PTGER4 (0.50) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL14800323 0.79 PTGER4 (0.73) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL16846282 0.75 PTGER4 (0.76) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL14376790 0.75 KCNQ3 (0.58) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL6169580 0.75 PTGER4 (0.64) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL408918 0.75 PTGER4 (0.67) PTGER4GAAALOX15ALDH1A1MAPT
SCHEMBL1127647 0.74 LMNA (0.59) PTGER4ALOX15ALDH1A1MAPTKDM4E
SCHEMBL6171237 0.74 PTGER4 (0.62) PTGER4GAAALOX15ALDH1A1MAPT

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
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed