SCHEMBL9865757

SCHEMBL9865757

O=C(Nc1ccccc1)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
PPARG P37231 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
RORC P51449 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL11851664 0.85 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL11853981 0.83 KMT2A (0.49) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL2296409 0.82 TMPRSS4 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL27754113 0.81 KMT2A (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL27538372 0.81 KMT2A (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9868029 0.78 HSPD1 (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL13656899 0.77 MEN1 (0.66) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL12305575 0.75 MEN1 (0.69) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL28778645 0.75 CXCR2 (0.63) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL28797060 0.74 KMT2A (0.50) MEN1KMT2ASMN1; SMN2LMNAMAPT

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
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed