SCHEMBL8698015

SCHEMBL8698015

CCC(CN(C)C)C(=O)c1ccccc1SC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL8701928 0.79 RAB9A (0.46) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL8700447 0.77 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL8696670 0.74 HTT (0.42) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL8214576 0.72 KMT2A (0.54) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL8697492 0.71 KMT2A (0.40) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL14040090 0.71 TSHR (0.45) KMT2AMEN1NPC1HTTHPGD
SCHEMBL8696894 0.69 GSK3B (0.50) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL5664606 0.69 HPGD (0.53) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL10496198 0.69 KMT2A (0.63) KMT2AMEN1HTTMAPTHPGD
SCHEMBL6427464 0.68 KMT2A (0.62) KMT2AMEN1HTTMAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998003478-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed
WO-1998003479-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed