SCHEMBL16972865

SCHEMBL16972865

O=[N+]([O-])c1cc(F)c(Br)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
VCAM1 P19320 4/20 0.43
PDE7A Q13946 1/20 0.41
HIF1A Q16665 2/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 2/20 0.39

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
SCHEMBL32679322 0.92 TDP1 (0.46) MAPK1TDP1TSHRATMMAPT
SCHEMBL18112975 0.92 TDP1 (0.46) MAPK1TDP1TSHRATMMAPT
SCHEMBL3254687 0.85 MAPT (0.53) MAPK1TDP1TSHRATMMAPT
SCHEMBL2477068 0.84 TSHR (0.52) MAPK1TDP1TSHRATMALDH1A1
SCHEMBL29653309 0.84 TSHR (0.52) MAPK1TDP1TSHRATMALDH1A1
SCHEMBL3543539 0.82 TSHR (0.50) MAPK1TDP1TSHRATMMAPT
SCHEMBL32679336 0.82 TSHR (0.50) MAPK1TDP1TSHRALDH1A1CYP3A4
SCHEMBL7784241 0.82 TSHR (0.50) MAPK1TDP1TSHRALDH1A1CYP3A4
SCHEMBL29740055 0.82 ATM (0.55) MAPK1TDP1ATMMAPTPKM
SCHEMBL30110338 0.82 TSHR (0.50) MAPK1TDP1TSHRATMMAPT

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-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 WO disclosed