SCHEMBL9385249

SCHEMBL9385249

CCNCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
ALDH1A1 P00352 9/20 0.55
GLA P06280 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 1/20 0.55
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 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
SCHEMBL9388443 0.90 MAPT (0.67) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL5153567 0.89 MAPT (0.63) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL9003269 0.87 MAPT (0.70) MAPTALDH1A1GLASMN1; SMN2MEN1
Diethylamine SCHEMBL28410463 0.86 MAPT (0.89) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL10489391 0.84 MAPT (0.72) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL570831 0.83 MAPT (1.00) MAPTALDH1A1GLASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1405413 0.82 MAPT (0.96) MAPTALDH1A1GLASMN1; SMN2MEN1
Bromide SCHEMBL28010281 0.82 MAPT (0.96) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL195897 0.81 MAPT (0.55) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL14368589 0.81 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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