SCHEMBL8548608

SCHEMBL8548608

Cc1ccc(-c2nnc(Cl)c3c([N+](=O)[O-])cccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
PAX8 Q06710 1/20 0.36
TSHR P16473 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
SCHEMBL8548778 0.88 KMT2A (0.47) MAPTNPSR1TDP1ALDH1A1L3MBTL1
SCHEMBL8552284 0.78 PLAU (0.40) MAPTNPSR1TDP1ALDH1A1MEN1
SCHEMBL8552276 0.77 KDR (0.43) MAPTNPSR1TDP1ALDH1A1MEN1
SCHEMBL8547799 0.76 KMT2A (0.43) MAPTNPSR1TDP1ALDH1A1L3MBTL1
SCHEMBL8550781 0.76 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1L3MBTL1KDM4E
SCHEMBL8551326 0.75 ALDH1A1 (0.44) MAPTNPSR1TDP1ALDH1A1L3MBTL1
SCHEMBL8552718 0.74 ALDH1A1 (0.42) MAPTNPSR1ALDH1A1L3MBTL1KDM4E
SCHEMBL8551333 0.73 ALDH1A1 (0.41) MAPTNPSR1ALDH1A1L3MBTL1KDM4E
SCHEMBL7904780 0.72 ALDH1A1 (0.60) MAPTNPSR1ALDH1A1L3MBTL1KDM4E
SCHEMBL1736457 0.68 PAX8 (0.57) MAPTTDP1ALDH1A1MEN1KMT2A

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