SCHEMBL6824933

SCHEMBL6824933

Cc1ccccc1NC(=O)C(OC(N)=O)C1=CC(=S)CC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.38
EPHX1 P07099 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PGR P06401 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DDX3X O00571 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34

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
SCHEMBL6716867 0.84 POLB (0.42) POLBHPGDALDH1A1TSHRKMT2A
SCHEMBL6723693 0.72 KMT2A (0.43) POLBHPGDALDH1A1KMT2ARAB9A
SCHEMBL6824939 0.68 POLB (0.46) POLBHPGDALDH1A1TSHRKMT2A
SCHEMBL7067161 0.66 KMT2A (0.62) POLBTSHRKMT2AMAPT
SCHEMBL29521664 0.64 POLB (0.75) POLBHPGDALDH1A1TSHRKMT2A
SCHEMBL81434 0.64 POLB (0.75) POLBHPGDALDH1A1TSHRKMT2A
SCHEMBL8344357 0.63 NPC1 (0.60) POLBHPGDALDH1A1RAB9ANPC1
SCHEMBL8346804 0.63 NPC1 (0.60) POLBHPGDALDH1A1RAB9ANPC1
SCHEMBL5186841 0.63 MDM4 (0.67) POLBHPGDALDH1A1RAB9ANPC1
SCHEMBL194142 0.62 ALDH1A1 (0.66) POLBHPGDALDH1A1TSHRKMT2A

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-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed