SCHEMBL3354412

SCHEMBL3354412

C=Cc1ccc(CCN2CCSCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL610232 0.88 SIGMAR1 (0.52) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL27879037 0.84 HRH3 (0.56) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL613544 0.84 HRH3 (0.61) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL3357116 0.83 HRH3 (0.65) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL817494 0.83 HRH3 (0.65) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL3356355 0.83 HRH3 (0.65) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL13837431 0.83 KDM4E (0.61) HRH3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL611191 0.83 HRH3 (0.65) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL3358096 0.80 SIGMAR1 (0.55) HRH3MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL3357901 0.78 HRH3 (0.69) HRH3L3MBTL1SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177562-B1 Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
EP-2184318-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2014-03-19 EP disclosed
CN-101724185-B Rubber composition and tire SUMITOMO RUBBER IND 2013-10-23 CN disclosed
CN-101724184-B Rubber composition and tire SUMITOMO RUBBER IND 2013-05-01 CN disclosed
US-8431644-B2 Rubber composition and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-30 US disclosed
EP-2182028-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2012-12-12 EP disclosed
CN-101724127-A Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724184-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
CN-101724185-A Rubber composition and tire SUMITOMO RUBBER IND 2010-06-09 CN disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP disclosed