SCHEMBL8337404

SCHEMBL8337404

Cc1ccccc1NC(=O)C(NC(=S)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.59
KMT2A Q03164 6/20 0.52
MEN1 O00255 3/20 0.52
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PYGL P06737 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8337645 0.90 KMT2A (0.47) DDX3XKMT2AMEN1NPC1MAPT
SCHEMBL8336155 0.85 KMT2A (0.48) DDX3XKMT2AMEN1NPC1RAB9A
SCHEMBL6723568 0.84 ALDH1A1 (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6723186 0.84 ALDH1A1 (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL17079601 0.79 DDX3X (0.74) DDX3XKMT2AMEN1NPC1RAB9A
SCHEMBL8338006 0.78 KMT2A (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8334912 0.78 KMT2A (0.53) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL6713855 0.77 MAPT (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6723389 0.77 MAPT (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6824922 0.75 KMT2A (0.63) KMT2APOLBPYGLTSHR

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
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed