SCHEMBL7206916

SCHEMBL7206916

Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.62
MAPT P10636 8/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 2/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50

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
SCHEMBL6258298 0.84 MAPT (0.71) MITFMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL2989250 0.83 MAPT (0.70) MITFMAPTMEN1KMT2ATDP1
SCHEMBL6815029 0.81 KMT2A (0.70) MITFMAPTMEN1KMT2ALMNA
SCHEMBL6259160 0.80 MITF (0.59) MITFMAPTMEN1KMT2ATDP1
SCHEMBL3667563 0.80 MITF (0.70) MITFMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL2992198 0.79 MITF (0.58) MITFMAPTMEN1KMT2ATDP1
SCHEMBL9683104 0.79 MAPT (0.55) MITFMAPTMEN1KMT2ATDP1
SCHEMBL6691544 0.77 PTPRF (0.51) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL27565507 0.77 PTPRF (0.71) MITFMAPTMEN1KMT2APTPRF
SCHEMBL14950713 0.77 PTPRF (0.71) MITFMAPTMEN1KMT2APTPRF

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
WO-2003076388-A2 BIS-ANILINE DERIVATIVES USEFUL AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2003-09-18 WO disclosed