SCHEMBL6897052

SCHEMBL6897052

COc1ccc2sc(Sc3nc4cc(OC)ccc4s3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.62
PDK1 Q15118 1/20 0.61
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
JAK2 O60674 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
DYRK1A Q13627 2/20 0.52
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
CTSD P07339 1/20 0.49
MAOB P27338 1/20 0.47
ILK Q13418 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6690265 0.90 PDK1 (0.76) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL4049187 0.88 SMN1; SMN2 (0.61) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL10668694 0.87 PPARA (0.59) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL8653743 0.87 PPARA (0.59) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL6902779 0.86 PDK1 (0.81) PDK1MAPTKDM4EMEN1KMT2A
SCHEMBL23214631 0.83 MAPT (0.53) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL23214800 0.83 PDK1 (0.51) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL31294003 0.83 PPARA (0.55) PPARAPDK1MAPTKDM4EMEN1
SCHEMBL6900275 0.82 MAPT (0.52) PPARAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9157816 0.81 PPARA (0.53) PPARAPDK1MAPTKDM4EMEN1

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