SCHEMBL11271600

SCHEMBL11271600

COc1cc(OC)c(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL25272394 0.85 ALDH1A1 (0.46) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL1282168 0.84 ABCB1 (0.46) MAPTALDH1A1KDM4EABCB1ABCC1
SCHEMBL7959792 0.82 MAPT (0.50) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL1286002 0.81 AR (0.44) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL16449128 0.81 NQO2 (0.46) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL19893069 0.81 VCAM1 (0.44) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL3449044 0.78 ALDH1A1 (0.56) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL2848578 0.77 ALDH1A1 (0.47) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3796800 0.75 ALDH1A1 (0.46) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL1282223 0.75 MAPT (0.50) MAPTALDH1A1MAPK1SMN1; SMN2MEN1

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-0054228-A1 Process for the preparation of 1-amino 2 or 4 nitro-alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-23 EP disclosed