SCHEMBL609145

SCHEMBL609145

CCN(CC)C(=O)c1ccccc1C(=S)N(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 2/20 0.53
KEAP1 Q14145 1/20 0.51
ABCC1 P33527 1/20 0.51
MAPK1 P28482 1/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TRPA1 O75762 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL609146 0.88 ABCC1 (0.51) TP53TSHRKEAP1ABCC1MAPK1
SCHEMBL29822323 0.88 TP53 (0.69) TP53TSHRKEAP1ABCC1MAPK1
SCHEMBL610480 0.88 TP53 (0.69) TP53TSHRKEAP1ABCC1MAPK1
SCHEMBL1827691 0.85 TP53 (0.60) TP53TSHRKEAP1ABCC1MAPK1
SCHEMBL8542679 0.81 AKR1C3 (0.56) TSHRABCC1MAPK1HPGDALDH1A1
SCHEMBL2161705 0.79 TP53 (0.58) TP53TSHRKEAP1MAPK1HPGD
SCHEMBL1828569 0.79 TP53 (0.58) TP53TSHRKEAP1MAPK1HPGD
SCHEMBL150008 0.77 TSHR (0.75) TP53TSHRKEAP1MAPK1HPGD
SCHEMBL29381824 0.77 TSHR (0.75) TP53TSHRKEAP1MAPK1HPGD
SCHEMBL29444015 0.77 TSHR (0.51) TP53TSHRABCC1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed