SCHEMBL7798501

SCHEMBL7798501

CSC[C@@H]1Nc2cc(Cl)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
PGR P06401 2/20 0.39
CHEK1 O14757 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
MDM2 Q00987 1/20 0.35

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
SCHEMBL8686842 1.00 MAPT (0.41) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7798614 0.82 KMT2A (0.38) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL8683741 0.82 KMT2A (0.38) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7800541 0.80 TP53 (0.44) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL8681553 0.80 TP53 (0.44) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7792873 0.80 BRPF1 (0.53) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL8682973 0.80 BRPF1 (0.53) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL7798656 0.78 MAPT (0.46) MAPTTP53KDM4EALDH1A1MEN1
SCHEMBL8683076 0.78 MAPT (0.46) MAPTTP53KDM4EALDH1A1MEN1
SCHEMBL8681564 0.77 MAPT (0.47) MAPTTP53KDM4EALDH1A1MEN1

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-0708093-B1 Quinoxalines, process for their preparation, and their use AVENTIS PHARMA GMBH (DE) 2001-01-17 EP disclosed