SCHEMBL11295618

SCHEMBL11295618

CCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.68
RAB9A P51151 7/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
NPC1 O15118 6/20 0.68
MAPK1 P28482 4/20 0.68
PKM P14618 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 5/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
MEN1 O00255 3/20 0.64
CYP1A2 P05177 2/20 0.64
GAA P10253 1/20 0.64
CYP2C19 P33261 2/20 0.60
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL11406573 0.90 KMT2A (0.59) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL11659558 0.89 MAPT (0.64) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL2776809 0.89 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL11631142 0.89 KMT2A (0.58) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL11629149 0.86 KMT2A (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL11630189 0.86 KMT2A (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL16742373 0.86 MAPT (0.60) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL6525254 0.85 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL8346764 0.85 KMT2A (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL9819650 0.85 KMT2A (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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