SCHEMBL9529792

SCHEMBL9529792

N#Cc1ccc(NC(=S)NC2CCc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 1/20 0.63
PTPN7 P35236 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
IDO1 P14902 1/20 0.47
DHODH Q02127 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
NAMPT P43490 1/20 0.43
PDPK1 O15530 1/20 0.42

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
SCHEMBL9529561 0.93 PTPN7 (0.65) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL7651926 0.83 KMT2A (0.67) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL9315471 0.80 MEN1 (0.52) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL7651922 0.79 KMT2A (0.75) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL9530471 0.78 IDO1 (0.53) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10452499 0.74 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL9528123 0.74 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL455875 0.74 MEN1 (0.54) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL6814583 0.73 MAPT (0.60) KMT2AMEN1MAPTPTPN7ALDH1A1
SCHEMBL9528476 0.72 EPHX1 (0.69) KMT2AMEN1MAPTPTPN7ALDH1A1

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-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed