SCHEMBL28046110

SCHEMBL28046110

O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1OCl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.66
MEN1 O00255 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MAPT P10636 5/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 2/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
CYP2C19 P33261 1/20 0.66
PPARG P37231 1/20 0.66
THPO P40225 1/20 0.66
MTOR P42345 1/20 0.66
RORC P51449 1/20 0.66
PMP22 Q01453 1/20 0.66

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
SCHEMBL28158296 0.90 KMT2A (0.70) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL28158722 0.84 MAPT (0.64) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL8310013 0.82 MAPT (0.80) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL6565993 0.81 KMT2A (0.68) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL10836873 0.81 KMT2A (0.72) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL3340347 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL27566843 0.80 ALDH1A1 (0.58) KMT2ASMN1; SMN2MAPTTP53CYP3A4
SCHEMBL29369092 0.80 RORC (1.00) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL28489220 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL420231 0.80 RORC (1.00) KMT2AMEN1SMN1; SMN2MAPTLMNA

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-103037866-B The parasite expellent of Fish and expelling method NIPPON SUISAN Kabushiki Kaisha Ltd. (JP) 2015-11-25 CN disclosed