SCHEMBL3454381

SCHEMBL3454381

CC(=O)N(C(N)=S)N(C(=O)c1ccccc1)C(N)=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28005973 0.79 ALDH1A1 (0.47) MAPTPOLBCYP3A4PARP1TSHR
Thiourea SCHEMBL15399733 0.78 MAPT (0.45) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL6267389 0.75 TSHR (0.50) MAPTPOLBCYP3A4PARP1TSHR
Acetophenone SCHEMBL7141951 0.74 MAPT (0.58) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL27813922 0.73 SMN1; SMN2 (0.44) MAPTTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL11267268 0.73 CES1 (0.55) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL11240709 0.73 TSHR (0.48) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL28761251 0.72 TSHR (0.46) MAPTPOLBCYP3A4PARP1TSHR
SCHEMBL27645357 0.72 TDP1 (0.46) MAPTPOLBCYP3A4PARP1TSHR
Ethylene SCHEMBL28318847 0.72 TSHR (0.46) MAPTPOLBCYP3A4PARP1TSHR

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
US-8247471-B2 Polymerizable composition GC CORPORATION (JP) 2012-08-21 US claimed
EP-2230280-A1 Polymerizable composition GC Corporation (JP) 2010-09-22 EP disclosed