SCHEMBL29007689

SCHEMBL29007689

O=C(Cl)c1cc([N+](=O)[O-])c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.38
ALDH1A1 P00352 7/20 0.37
TDP1 Q9NUW8 3/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.37
VCAM1 P19320 1/20 0.37
HIF1A Q16665 3/20 0.36
CTSD P07339 1/20 0.36
TTR P02766 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 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
SCHEMBL1002537 0.85 GPR35 (0.42) GPR35ALDH1A1TDP1ATMTSHR
SCHEMBL1039209 0.85 DTYMK (0.46) GPR35ALDH1A1TDP1ATMTSHR
SCHEMBL31374303 0.84 ALDH1A1 (0.39) GPR35ALDH1A1TDP1ATMTSHR
SCHEMBL31402002 0.81 TTR (0.41) GPR35ALDH1A1TSHRVCAM1HIF1A
SCHEMBL8575620 0.81 GPR35 (0.44) GPR35ALDH1A1TSHRVCAM1CTSD
SCHEMBL23035439 0.81 WDR5 (0.47) GPR35ALDH1A1TDP1TSHRVCAM1
SCHEMBL29063660 0.80 ERN1 (0.42) GPR35ALDH1A1TDP1ATMTSHR
SCHEMBL1966853 0.79 TDP1 (0.44) GPR35ALDH1A1TDP1ATMTSHR
SCHEMBL2522809 0.79 PDGFRB (0.50) ALDH1A1TDP1VCAM1HPGDLMNA
SCHEMBL28252592 0.79 TDP1 (0.48) GPR35ALDH1A1TDP1ATMTSHR

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-116178203-A Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2023-05-30 CN disclosed