SCHEMBL17329378

SCHEMBL17329378

CN(C)c1nc2ccccc2n1CCSSCCn1c(N(C)C)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL17329359 0.88 ALDH1A1 (0.42) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL17329383 0.83 KDM4E (0.50) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL17365980 0.80 POLB (0.41) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL20550090 0.79 ALDH1A1 (0.47) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL20421368 0.78 BCHE (0.42) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL17329351 0.76 CXCR4 (0.72) CYP1A2HTTKMT2APOLBCYP2D6
SCHEMBL14685203 0.74 SMN1; SMN2 (0.57) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL20433804 0.69 ALDH1A1 (0.41) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL17347580 0.69 POLB (0.38) MAPTCYP1A2HTTALDH1A1MEN1
SCHEMBL21912825 0.67 MAPK1 (0.61) MAPTCYP1A2HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP claimed
US-10053553-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2018-08-21 US disclosed
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP disclosed
US-20150361248-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-17 US disclosed