SCHEMBL8780888

SCHEMBL8780888

CCCCNCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.60
CHRM2 P08172 1/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 1/20 0.50
TSHR P16473 1/20 0.50
CDC25C P30307 1/20 0.48

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
SCHEMBL3118575 0.94 CHRM2 (0.59) KCNH2CHRM2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL11139285 0.92 CHRM2 (0.63) KCNH2CHRM2MEN1KMT2ACA12
SCHEMBL7939602 0.90 KCNH2 (0.63) KCNH2CHRM2MEN1KMT2ACA12
SCHEMBL11238993 0.89 KCNH2 (0.63) KCNH2CHRM2MEN1KMT2ASIGMAR1
SCHEMBL9628053 0.88 KCNH2 (0.73) KCNH2CHRM2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL11229997 0.88 KCNH2 (0.62) KCNH2CHRM2MEN1KMT2ASIGMAR1
SCHEMBL3116995 0.88 CHRM2 (0.65) KCNH2CHRM2SIGMAR1HDAC3HDAC1
SCHEMBL11235448 0.88 KCNH2 (0.66) KCNH2CHRM2SIGMAR1HDAC3HDAC1
SCHEMBL11236700 0.88 KCNH2 (0.66) KCNH2CHRM2SIGMAR1HDAC3HDAC1
SCHEMBL3122783 0.88 CHRM2 (0.65) KCNH2CHRM2SIGMAR1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed