SCHEMBL9638902

SCHEMBL9638902

O=[N+]([O-])COCCOc1cccc(OCCOC[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 3/20 0.49
RECQL P46063 1/20 0.49
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
TLR4 O00206 2/20 0.43
TLR2 O60603 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9504158 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL15498199 0.74 CHRNB2 (0.73) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29547480 0.72 CHRNB2 (0.65) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL27600825 0.71 CHRNB2 (0.60) MAPTALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL28109399 0.71 MAOB (0.48) ALDH1A1KMT2AMAPK1TLR4TLR2
SCHEMBL9561277 0.71 CHRNB2 (0.59) MAPTALDH1A1MEN1KMT2ACHRNB2
SCHEMBL15720996 0.71 CHRNB2 (0.63) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9795834 0.71 KDM4E (0.48) MAPTALDH1A1MAPK1LMNANPC1
SCHEMBL15219217 0.71 KDM4E (0.57) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL22269212 0.70 MAOA (0.48) MAPTMEN1KMT2AMAPK1RECQL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292985-B1 PROCESS FOR PREPARING 2,4-DINITRO-PHENYLETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-25 EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4847426-A Process for the preparation of 2,4-dinitrophenyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
EP-0292985-A1 Process for preparing 2,4-dinitro-phenylethers HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP disclosed
EP-0124084-B1 PROCESS FOR THE PREPARATION OF 6-CHLORO-2,4-DINITROPHENOL HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed
US-4540832-A Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0124084-A2 Process for the preparation of 6-chloro-2,4-dinitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-07 EP disclosed