SCHEMBL9853522

SCHEMBL9853522

N=C(N)OC(C(=O)NN)C(O)C(=O)NN.Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
S100B P04271 1/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 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
SCHEMBL9853500 0.76 RECQL (0.48) RECQLSMN1; SMN2GFERKMT2AS100B
SCHEMBL31000389 0.76 RECQL (0.67) RECQLSMN1; SMN2GFERKMT2AS100B
SCHEMBL145366 0.76 RECQL (0.67) RECQLSMN1; SMN2GFERKMT2AS100B
SCHEMBL30484136 0.76 RECQL (0.67) RECQLSMN1; SMN2GFERKMT2AS100B
Hydrazine SCHEMBL11821861 0.74 RECQL (0.65) RECQLSMN1; SMN2GFERKMT2AS100B
Hydrochloric Acid SCHEMBL27581315 0.74 RECQL (0.65) RECQLSMN1; SMN2GFERKMT2AS100B
Acetamide SCHEMBL16335345 0.73 RECQL (0.59) RECQLSMN1; SMN2GFERKMT2AS100B
SCHEMBL9853532 0.73 S100B (0.44) SMN1; SMN2KMT2AS100BMAPTPPARG
SCHEMBL9853559 0.71 TP53 (0.39) RECQLSMN1; SMN2GFERKMT2AS100B
SCHEMBL9853497 0.71 SMN1; SMN2 (0.46) RECQLSMN1; SMN2GFERKMT2AS100B

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 claimed