SCHEMBL9623039

SCHEMBL9623039

Nc1ccc(Nc2cc(Cl)ccc2OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
PDE7A Q13946 1/20 0.46
KCNMA1 Q12791 2/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.44
APP P05067 1/20 0.44
MAPK1 P28482 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9622901 0.92 L3MBTL1 (0.49) L3MBTL1PDE7AKCNMA1MAPTMEN1
SCHEMBL127397 0.84 MAPT (0.57) L3MBTL1MAPTMEN1KMT2AHPGD
SCHEMBL10531772 0.83 L3MBTL1 (0.52) L3MBTL1PDE7AKCNMA1MAPTMEN1
SCHEMBL10531659 0.82 L3MBTL1 (0.51) L3MBTL1KCNMA1MAPTMEN1KMT2A
SCHEMBL9623030 0.81 MAPT (0.52) KCNMA1MAPTMEN1KMT2AHPGD
SCHEMBL9820943 0.81 MAPT (0.51) KCNMA1MAPTMEN1KMT2AMAPK1
SCHEMBL9622602 0.80 MAPT (0.53) L3MBTL1KCNMA1MAPTMEN1KMT2A
SCHEMBL9622892 0.78 MAPT (0.56) L3MBTL1KCNMA1MAPTMEN1KMT2A
SCHEMBL9622919 0.78 MAPT (0.46) MAPTMEN1KMT2AHPGDMAPK1
SCHEMBL6135331 0.77 MAPT (0.50) MAPTMEN1KMT2AHPGDMAPK1

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-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed