SCHEMBL6563884

SCHEMBL6563884

CC(N)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 5/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 2/20 0.48
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8635097 0.86 MAPT (0.65) MAPTALDH1A1RECQLHSD17B10MEN1
Ammonia Solution, Strong SCHEMBL6701329 0.84 MAPT (0.62) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL9820267 0.83 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL30800484 0.83 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL27617156 0.82 MAPT (0.56) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL4616467 0.81 MAPT (0.59) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL4332876 0.81 MAPT (0.54) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL11214950 0.80 MAPT (0.57) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL5157176 0.79 MAPT (0.59) MAPTALDH1A1RECQLHSD17B10MEN1
SCHEMBL3662904 0.79 MAPT (0.59) MAPTALDH1A1RECQLHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828443-B1 Dyes and colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-07 US disclosed
EP-1189993-B1 NOVEL DYES AND COLORANTS HENKEL KGAA (DE) 2004-02-18 EP disclosed
EP-1189993-A1 NOVEL DYES AND COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-27 EP disclosed
WO-2001002492-A1 NOVEL DYES AND COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-11 WO disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
EP-0384364-B1 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1994-01-19 EP disclosed
US-5009815-A Composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-04-23 US disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0384364-A2 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-08-29 EP disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed