SCHEMBL609146

SCHEMBL609146

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.51
ALDH1A1 P00352 5/20 0.46
MGLL Q99685 1/20 0.46
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
LMNA P02545 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2E1 P05181 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
GSDMD P57764 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
SCHEMBL609145 0.88 TP53 (0.56) ABCC1ALDH1A1TP53NPC1RAB9A
SCHEMBL29444015 0.87 TSHR (0.51) ABCC1ALDH1A1MGLLTP53NPC1
SCHEMBL8542679 0.84 AKR1C3 (0.56) ABCC1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8556117 0.81 ABCC1 (0.45) ABCC1ALDH1A1MGLLTP53NPC1
SCHEMBL19468335 0.79 ALDH1A1 (0.58) ABCC1ALDH1A1MGLLNPC1RAB9A
SCHEMBL7223228 0.73 ABCC1 (0.36) ABCC1ALDH1A1MGLLTP53NPC1
SCHEMBL610580 0.72 ALDH1A1 (0.61) ALDH1A1MGLLTP53SMN1; SMN2TSHR
SCHEMBL29822323 0.71 TP53 (0.69) ABCC1ALDH1A1TP53TSHRMAPK1
SCHEMBL610480 0.71 TP53 (0.69) ABCC1ALDH1A1TP53TSHRMAPK1
SCHEMBL8545886 0.71 ALDH1A1 (0.42) ABCC1ALDH1A1MGLLNPC1RAB9A

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