SCHEMBL7071883

SCHEMBL7071883

O=CNCNCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.72
ADH1C P00326 1/20 0.72
ADH1A P07327 1/20 0.72
ADH7 P40394 1/20 0.72
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAPT P10636 2/20 0.47
CHRM2 P08172 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
IDO1 P14902 2/20 0.43

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
SCHEMBL27354 0.84 ADH1B (1.00) ADH1BADH1CADH1AADH7MEN1
Hydrochloric Acid SCHEMBL3741186 0.82 ADH1B (0.95) ADH1BADH1CADH1AADH7MEN1
SCHEMBL8916911 0.81 MEN1 (0.70) ADH1BADH1CADH1AADH7MEN1
SCHEMBL27619252 0.81 MEN1 (0.71) ADH1BADH1CADH1AADH7MEN1
SCHEMBL20274488 0.78 MAOA (0.77) ADH1BADH1CADH1AADH7MEN1
Benzene SCHEMBL11697595 0.75 MEN1 (0.78) ADH1BADH1CADH1AADH7MEN1
SCHEMBL5799878 0.75 MEN1 (0.78) ADH1BADH1CADH1AADH7MEN1
SCHEMBL1654 0.75 MEN1 (0.78) ADH1BADH1CADH1AADH7MEN1
Sulfuric Acid SCHEMBL11477035 0.75 ADH1B (0.80) ADH1BADH1CADH1AADH7MEN1
Catechol SCHEMBL27790303 0.75 ADH1B (0.80) ADH1BADH1CADH1AADH7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP disclosed