SCHEMBL23725271

SCHEMBL23725271

O=Cc1c[nH]c2cc(CBr)ccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.63
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
IMPDH2 P12268 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIM3 Q86V86 7/20 0.42
PIM1 P11309 5/20 0.41
PIM2 Q9P1W9 2/20 0.39
TDO2 P48775 1/20 0.38
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5814027 0.87 ALDH1A1 (0.54) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL6819310 0.83 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL29957436 0.83 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL7487153 0.81 CYP2A6 (0.57) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL29152827 0.80 CYP2A6 (0.54) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL1081911 0.77 CYP2A6 (1.00) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL29951219 0.77 CYP2A6 (1.00) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL29955610 0.76 CYP2A6 (0.51) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL9377060 0.75 CYP2A6 (0.66) CYP2A6ALDH1A1KDM4EMAPTIMPDH2
SCHEMBL29956305 0.75 CYP2A6 (0.66) CYP2A6ALDH1A1KDM4EMAPTIMPDH2

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
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed