SCHEMBL9853515

SCHEMBL9853515

N=C(N)C(CCC(=O)NN)c1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
S100B P04271 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL9853538 0.94 MEN1 (0.35) MEN1KMT2AMAPTALOX15SMN1; SMN2
SCHEMBL9853506 0.92 MAPT (0.37) MEN1KMT2AMAPTALOX15SMN1; SMN2
SCHEMBL9853493 0.79 MAPT (0.39) MAPTALOX15S100BLMNAALDH1A1
SCHEMBL9853536 0.72 MAPT (0.39) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9853500 0.71 RECQL (0.48) KMT2AMAPTALOX15SMN1; SMN2S100B
SCHEMBL1569040 0.69 ALOX15 (0.41) MAPTALOX15S100BALDH1A1HTT
SCHEMBL27536792 0.68 MAPT (0.40) MAPTALOX15S100BLMNAALDH1A1
SCHEMBL11224675 0.68 ALOX15 (0.40) MAPTALOX15S100BLMNAALDH1A1
SCHEMBL9853532 0.68 S100B (0.44) MEN1KMT2AMAPTALOX15SMN1; SMN2
SCHEMBL23337438 0.67 MAPT (0.55) MAPTALOX15S100BALDH1A1HTT

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