SCHEMBL9529561

SCHEMBL9529561

N#Cc1ccc(NC(=S)NC2CCCc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.65
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
MAPT P10636 1/20 0.55
DHODH Q02127 1/20 0.54
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47

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
SCHEMBL9529792 0.93 KMT2A (0.63) PTPN7ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7651926 0.76 KMT2A (0.67) PTPN7ALDH1A1LMNAKMT2AMEN1
SCHEMBL9530471 0.76 IDO1 (0.53) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL9527867 0.75 LMNA (0.59) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL6256620 0.73 ALDH1A1 (0.59) ALDH1A1LMNAL3MBTL1KMT2ADHODH
SCHEMBL9315471 0.72 MEN1 (0.52) PTPN7ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL10531842 0.72 EPHX1 (0.69) PTPN7ALDH1A1LMNAKMT2AMEN1
SCHEMBL9528476 0.72 EPHX1 (0.69) PTPN7ALDH1A1LMNAKMT2AMEN1
SCHEMBL18695079 0.72 EPHX1 (0.69) PTPN7ALDH1A1LMNAKMT2AMEN1
SCHEMBL7651922 0.72 KMT2A (0.75) PTPN7ALDH1A1LMNAL3MBTL1KMT2A

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