SCHEMBL8719932

SCHEMBL8719932

CCCCS(=O)(=O)NC1Cc2ccc(C3=NNC(=O)C(c4ccccc4)C3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
LMNA P02545 2/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
NR1H2 P55055 4/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8718572 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8306283 0.81 LMNA (0.47) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL8307326 0.75 HDAC8 (0.51) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL8720034 0.73 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8302585 0.73 MAPT (0.46) MEN1KMT2AMAPTPSEN1PSEN2
SCHEMBL8308839 0.73 PSEN1 (0.69) MEN1KMT2AMAPTPSEN1PSEN2
SCHEMBL8308772 0.72 HDAC8 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8715200 0.70 PDE4A (0.48) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL1754738 0.69 NPSR1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8302610 0.68 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed