SCHEMBL6851287

SCHEMBL6851287

CC(CN)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 3/20 0.51
CA1 P00915 2/20 0.50
CA12 O43570 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
KCNH3 Q9ULD8 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
CA2 P00918 1/20 0.46
LMNA P02545 2/20 0.44
GLA P06280 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
SCHEMBL28142388 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL3609031 0.83 ALDH1A1 (0.49) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL6824926 0.83 CA12 (0.54) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL11612514 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL11615334 0.81 MAPT (0.54) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL4616467 0.81 MAPT (0.59) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL4952967 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL6670391 0.80 CA12 (0.51) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL7170023 0.80 KCNH3 (0.49) ALDH1A1HSD17B10RECQLMAPTCA1
SCHEMBL3580929 0.80 HTT (0.50) ALDH1A1HSD17B10RECQLMAPTCA1

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
US-6828443-B1 Dyes and colorants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-07 US 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