SCHEMBL9853483

SCHEMBL9853483

NN=C(c1ccccc1)c1ccccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPK1 P28482 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL8316276 0.85 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2KMT2AGFER
SCHEMBL1339690 0.83 GFER (0.64) MAPTGAASMN1; SMN2KMT2AGFER
SCHEMBL1339688 0.83 GFER (0.64) MAPTGAASMN1; SMN2KMT2AGFER
SCHEMBL17697018 0.82 MAPT (0.52) MAPTGAASMN1; SMN2KMT2AGFER
SCHEMBL1141828 0.79 BLM (0.43) MAPTGAAKMT2AGFERALDH1A1
SCHEMBL16089348 0.79 BLM (0.43) MAPTGAAKMT2AGFERALDH1A1
SCHEMBL6711422 0.79 GSTA1 (0.51) MAPTGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL6711416 0.79 GSTA1 (0.51) MAPTGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL9853492 0.78 SMN1; SMN2 (0.77) MAPTSMN1; SMN2KMT2AGFERALDH1A1
SCHEMBL6740766 0.78 ALDH1A1 (0.45) MAPTGAASMN1; SMN2KMT2AALDH1A1

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-0433526-A1 Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular Richter, Peter, Prof. Dr.sc.nat. (DE) 1991-06-26 EP disclosed