SCHEMBL8547799

SCHEMBL8547799

Cc1ccc(-c2n[nH]c(=O)c3c([N+](=O)[O-])cccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.42
MAPT P10636 7/20 0.42
NPSR1 Q6W5P4 4/20 0.42
KDM4E B2RXH2 3/20 0.42
BLM P54132 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
NOS1 P29475 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOS2 P35228 1/20 0.42
POLB P06746 3/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL8550890 0.88 ATM (0.55) KMT2AMEN1ALDH1A1MAPK1AR
SCHEMBL8547192 0.78 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8548686 0.77 LRRK2 (0.49) KMT2AMEN1ALDH1A1MAPK1AR
SCHEMBL8548608 0.76 MAPT (0.44) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8549961 0.75 MEN1 (0.44) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8548542 0.75 ROCK2 (0.47) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1786578 0.74 ATM (0.73) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10149747 0.71 LMNA (0.64) KMT2AMEN1ALDH1A1MAPK1AR
SCHEMBL8552284 0.71 PLAU (0.40) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL4065593 0.71 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed