SCHEMBL32679322

SCHEMBL32679322

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
VCAM1 P19320 5/20 0.43
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
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
CTSB P07858 1/20 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
SCHEMBL18112975 1.00 TDP1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL16972865 0.92 MAPK1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL7872533 0.85 TDP1 (0.46) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL2477068 0.84 TSHR (0.52) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL29653309 0.84 TSHR (0.52) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL30434858 0.82 TDP1 (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL8967138 0.82 TDP1 (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL29663529 0.82 ATM (0.55) TDP1MAPK1ATMALDH1A1CYP3A4
SCHEMBL9694173 0.82 TSHR (0.50) TDP1MAPK1TSHRATMALDH1A1
SCHEMBL7335 0.82 ATM (0.55) TDP1MAPK1ATMALDH1A1CYP3A4

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-121574096-A Phenylamidine compound containing pyrazole structure or salt, composition and application thereof 海利尔药业集团股份有限公司 2026-02-27 CN disclosed