SCHEMBL8977174

SCHEMBL8977174

CC(=O)Nc1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
CYP19A1 P11511 2/20 0.58
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MLNR O43193 1/20 0.55
MMP1 P03956 1/20 0.55
MPO P05164 1/20 0.55
GLA P06280 1/20 0.55

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
SCHEMBL11869248 0.90 CYP19A1 (0.68) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL7005272 0.87 MEN1 (0.57) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL11169343 0.83 ALDH1A1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL2502044 0.82 HTT (0.76) MAPTSMN1; SMN2LMNAALDH1A1MEN1
Iodide SCHEMBL11161314 0.82 MEN1 (0.52) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL8977084 0.81 MEN1 (0.53) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11035972 0.80 CYP19A1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL11166783 0.80 MAPT (0.69) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL11414383 0.80 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL11412235 0.80 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517871-B1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LTD (GB) 1996-04-24 EP disclosed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP disclosed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed