SCHEMBL8546609

SCHEMBL8546609

COC(=O)c1c(C(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 3/20 0.50
PHGDH O43175 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DHODH Q02127 1/20 0.45
G6PD P11413 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL8547825 0.88 SMN1; SMN2 (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL8550836 0.88 TSHR (0.50) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL8549684 0.87 ALDH1A1 (0.49) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL11457689 0.82 TSHR (0.60) MAPTLMNAPOLBPHGDHMEN1
SCHEMBL50994 0.82 TSHR (0.54) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL4406921 0.81 TSHR (0.50) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL8549114 0.80 ALDH1A1 (0.45) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL14476851 0.80 NR4A1 (0.55) MAPTPOLBPHGDHTSHRBCL2L1
SCHEMBL1612393 0.79 TSHR (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL5863528 0.79 TSHR (0.64) MAPTLMNAPOLBMEN1KMT2A

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