SCHEMBL9853532

SCHEMBL9853532

N=C(N)C(C(=O)NN)c1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TP53 P04637 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 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
SCHEMBL9853493 0.86 MAPT (0.39) S100BMAPTLMNAALDH1A1HTT
SCHEMBL9853536 0.73 MAPT (0.39) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL9853522 0.73 RECQL (0.44) S100BMAPTLMNAALDH1A1HTT
SCHEMBL21248077 0.73 MAPT (0.48) S100BMAPTLMNAALDH1A1HTT
SCHEMBL9853500 0.72 RECQL (0.48) S100BMAPTLMNAALDH1A1TP53
SCHEMBL7072159 0.71 MAPT (0.67) MAPTLMNAALDH1A1HTTTP53
SCHEMBL11180916 0.70 ALDH1A1 (0.47) S100BMAPTLMNAALDH1A1HTT
SCHEMBL1720708 0.70 S100B (0.57) S100BMAPTLMNAALDH1A1HTT
SCHEMBL31000389 0.69 RECQL (0.67) S100BMAPTLMNAALDH1A1HTT
SCHEMBL30484136 0.69 RECQL (0.67) S100BMAPTLMNAALDH1A1HTT

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