SCHEMBL25959321

SCHEMBL25959321

CN(O)c1cc(Br)ccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.48
CYP2A6 P11509 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
ALDH1A3 P47895 1/20 0.34
TYR P14679 2/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PIM3 Q86V86 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3208498 0.85 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL24248444 0.77 ERN1 (0.41) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL29950894 0.76 ERN1 (0.40) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL29956526 0.74 ERN1 (0.38) ERN1CYP2A6PTGDR2ALDH1A1LMNA
SCHEMBL3209434 0.73 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL31457111 0.73 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL29952087 0.72 TSHR (0.40) ERN1PTGDR2ALDH1A1ALDH1A3LMNA
SCHEMBL15094082 0.71 ALDH1A1 (0.60) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL31035488 0.71 ERN1 (0.53) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL3040456 0.71 ERN1 (0.64) ERN1CYP2A6PTGDR2PTPN1ALDH1A1

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-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed