SCHEMBL31265477

SCHEMBL31265477

O=Cc1cc(Br)cnc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.38
OPRK1 P41145 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 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
SCHEMBL14115886 1.00 ERN1 (0.48) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL15052994 0.78 TRIM24 (0.47) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL28518576 0.77 ERN1 (0.41) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL8364837 0.75 ERN1 (0.34) ERN1TRIM24TRIM33KMT2AALDH1A1
SCHEMBL2214871 0.75 ERN1 (0.39) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL741314 0.75 ERN1 (0.39) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL124567 0.75 KMT2A (0.54) ERN1PTGDR2OPRK1TRIM24TRIM33
SCHEMBL22105601 0.75 ERN1 (0.48) ERN1
SCHEMBL1619507 0.75 ERN1 (0.54) ERN1
SCHEMBL17421095 0.75 ERN1 (0.39) ERN1PTGDR2OPRK1TRIM24TRIM33

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-118812424-A Triarylmethane derivative and preparation method and application thereof 重庆文理学院 2024-10-22 CN disclosed