SCHEMBL2945240

SCHEMBL2945240

CCOc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28086988 0.89 MAPT (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14198864 0.85 MAPT (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9023547 0.85 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11835695 0.83 MAPT (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8356136 0.82 MAPT (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23153879 0.81 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL310334 0.81 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL17303752 0.81 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28406321 0.81 TSHR (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8405075 0.81 MAPT (0.48) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 EP disclosed
EP-1765267-B1 INITIAL PHENYLPROPANEDIOL DYE PRODUCTS HENKEL AG & CO KGAA (DE) 2010-01-06 EP disclosed
EP-1765267-B1 INITIAL PHENYLPROPANEDIOL DYE PRODUCTS HENKEL AG & CO KGAA (DE) 2010-01-06 EP disclosed
EP-1765267-A1 INITIAL PHENYLPROPANEDIOL DYE PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-03-28 EP disclosed
WO-2006002712-A1 INITIAL PHENYLPROPANEDIOL DYE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-01-12 WO disclosed
EP-0601138-B1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AG (DE) 1996-09-18 EP disclosed
US-5382702-A Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes WELLA AKTIENGESELLSCHAFT (DE) 1995-01-17 US disclosed
EP-0601138-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS. WELLA AG (DE) 1994-06-15 EP disclosed
WO-1993025512-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1993-12-23 WO disclosed
EP-0252351-B1 5-ALKOXY-2,4-DIAMINO-ALKYLBENZENES AND HAIR DYES CONTAINING SAME Wella Aktiengesellschaft (DE) 1990-09-12 EP disclosed
US-4854935-A OXIDATION COLOR DYE COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0252351-A1 5-Alkoxy-2,4-diamino-alkylbenzenes and hair dyes containing same Wella Aktiengesellschaft (DE) 1988-01-13 EP disclosed