SCHEMBL9504158

SCHEMBL9504158

O=[N+]([O-])COc1cccc(OC[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
TLR4 O00206 4/20 0.41
TLR2 O60603 4/20 0.41
MAOB P27338 7/20 0.41
MAOA P21397 6/20 0.41
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28109399 0.87 MAOB (0.48) KMT2AMAPK1TLR4TLR2MAOB
SCHEMBL27600825 0.87 CHRNB2 (0.60) MAPTCHRNB2CHRNA4MAOBLMNA
SCHEMBL28456801 0.86 MAPT (0.32) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL7465350 0.85 ALOX5 (0.48) TLR4TLR2MAOBMAOA
SCHEMBL3889092 0.84 KCNA3 (0.46) MAPTMEN1KMT2ARECQLTLR4
SCHEMBL9638902 0.83 MAPT (0.49) MAPTMEN1KMT2AMAPK1RECQL
SCHEMBL6438271 0.80 AGXT (0.53) MAPTMEN1KMT2AMAPK1TLR4
Anisole SCHEMBL28098758 0.76 CA4 (0.52) MAPTMEN1KMT2ATLR4TLR2
SCHEMBL27820910 0.74 ALDH1A1 (0.63) MAPTMEN1KMT2ACHRNB2CHRNA4
SCHEMBL7465418 0.74 HDAC1 (0.46) MAPTMEN1KMT2ALMNAALDH1A1

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-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed