SCHEMBL17309682

SCHEMBL17309682

O=C(CCSSCCC(=O)NCCCc1nc2ccccc2[nH]1)NCCCc1nc2ccccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
POLB P06746 2/20 0.60
CHRM1 P11229 1/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.56
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
CTSS P25774 1/20 0.51

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
SCHEMBL17309671 0.93 GAA (0.73) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL17309683 0.85 LMNA (0.57) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL17481131 0.84 GAA (0.81) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL18381278 0.82 GAA (0.77) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL10045076 0.82 GAA (0.70) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL12472614 0.82 HTT (0.67) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL1231977 0.81 GAA (0.76) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL12999426 0.81 GAA (0.75) GAALMNAMAPTSMN1; SMN2HTT
SCHEMBL17309691 0.81 SMN1; SMN2 (0.57) GAALMNAMAPTSMN1; SMN2POLB
SCHEMBL13405878 0.81 HTT (0.84) GAALMNASMN1; SMN2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546232-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2017-01-17 US disclosed
US-20150353657-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-10 US disclosed
EP-2952541-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2015-12-09 EP disclosed