SCHEMBL6900878

SCHEMBL6900878

CCCCOc1ccc2nc(Sc3nc4ccc(OCCCC)cc4s3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
MAPT P10636 6/20 0.53
LMNA P02545 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 1/20 0.53
PPARA Q07869 4/20 0.53
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL6691987 0.91 PDK1 (0.66) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL6900180 0.88 PPARA (0.43) MAPTLMNAL3MBTL1MAPK1PPARA
SCHEMBL6902202 0.88 MAPT (0.66) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL6688601 0.85 PPARA (0.50) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL6691037 0.83 PPARA (0.51) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL16155847 0.82 KMT2A (0.54) MAPTLMNAL3MBTL1PPARATDP1
SCHEMBL12111155 0.82 TDP1 (0.57) MAPTLMNAL3MBTL1TDP1ALDH1A1
SCHEMBL14675490 0.81 MAPT (0.65) MAPTLMNAL3MBTL1MAPK1PPARA
SCHEMBL6691013 0.81 TSHR (0.52) MAPTLMNAL3MBTL1PPARATDP1
SCHEMBL5946843 0.81 CYP3A4 (0.78) MAPTLMNAMAPK1HTTTDP1

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
EP-0945482-B1 Rubber composition for tire tread and pneumatic tire using same BRIDGESTONE CORP (JP) 2004-01-28 EP disclosed
US-6242522-B1 A DIENE BASED SYNTHETIC RUBBER OR NATURAL RUBBER BLEND CONTAINING BUTADIENE-STYRENE RUBBER, ALUMINUM HYDROXIDE POWDER, SILICA POWDER, CARBON BLACK; LOW FUEL CONSUMPTION AND WEAR RESISTANCE; IMPROVED GRIPPING IN WET AND COLD SITUATIONS BRIDGESTONE CORPORATION (JP) 2001-06-05 US disclosed
EP-0948029-A2 High pressure discharge lamp NGK INSULATORS, LTD. (JP) 1999-10-06 EP disclosed