SCHEMBL4761972

SCHEMBL4761972

C=C(O)CNc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45

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
SCHEMBL14110955 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3322371 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4227750 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4655115 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL9499751 0.78 LMNA (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL14383794 0.77 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL13832433 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL12643251 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4206714 0.76 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL16385539 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTGAA

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-1852414-B1 Process for the preparation of 4-Hydroxyalkylamino-2-nitro-anisoles WELLA AG (DE) 2008-11-26 EP disclosed