SCHEMBL6255209

SCHEMBL6255209

COCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
TTR P02766 2/20 0.51
PKM P14618 1/20 0.51
S1PR4 O95977 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL10804895 0.96 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL7907585 0.92 NPC1 (0.59) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL2002273 0.87 MAPT (0.55) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL11221739 0.87 MAPT (0.56) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL8973132 0.86 CYP19A1 (0.57) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL9638940 0.85 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL8973683 0.84 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL6431028 0.84 MAPT (0.59) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL442509 0.83 MAPT (0.48) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL12312148 0.83 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1166749-B1 Composition and process for dyeing keratinic fibres WELLA AG (DE) 2005-10-12 EP disclosed
EP-1166749-A2 Composition and process for dyeing keratinic fibres Wella Aktiengesellschaft (DE) 2002-01-02 EP disclosed
EP-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
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
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP 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-4695656-A Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
US-4686301-A Process for the preparation of 2,4-dinitrophenol alkoxyalkyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0204229-A1 Process for preparing 2,4-dinitrophenol-alkoxyalkyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-10 EP disclosed
EP-0204111-A2 Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA Aktiengesellschaft (DE) 1986-12-10 EP disclosed
EP-0200955-A2 Process for the preparation of 2,4-dinitrophenyl ethers CASSELLA Aktiengesellschaft (DE) 1986-11-12 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
EP-0007738-B1 PROCESS FOR PRODUCING 2-AMINO-4-ACYLAMINOPHENYL ETHER AND 2,4-DIAMINOPHENYL ETHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-12-29 EP disclosed
EP-0007738-A1 Process for producing 2-amino-4-acylaminophenyl ether and 2,4-diaminophenyl ether SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-02-06 EP disclosed