SCHEMBL28859337

SCHEMBL28859337

O=Cc1ccccc1Nc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
C1R P00736 9/20 0.37
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 1/20 0.33
CYP2A6 P11509 1/20 0.33
IMPDH2 P12268 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
SCHEMBL4333864 0.87 LMNA (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL1686520 0.80 C1R (0.43) KMT2AMEN1TDP1C1RGAA
SCHEMBL97071 0.78
SCHEMBL29661768 0.78
SCHEMBL11754542 0.76 MAPT (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL2558800 0.76 MEN1 (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL10695412 0.76 ALDH1A1 (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL7357810 0.76 ERN1 (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL10984047 0.76 TRIM24 (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL96065 0.75 KMT2A (0.50) LMNAKMT2AMEN1THRBBLM

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-105061256-B Cyano group triphenylamine organic micromolecule red light material and its preparation method and use 江苏师范大学 2018-05-04 CN disclosed