SCHEMBL6689079

SCHEMBL6689079

COc1cccc2nc(SN(C3CCCCC3)C3CCCCC3)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 4/20 0.35
TXN P10599 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
AGER Q15109 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL6697857 0.88 HSP90AA1 (0.41) CYP1A2CYP2D6DRD2DRD4DRD3
SCHEMBL6691230 0.85 HSP90AA1 (0.39) CYP1A2CYP2D6DRD2DRD4DRD3
SCHEMBL6699266 0.81 ALDH1A1 (0.47) CYP1A2CYP2D6ALDH1A1HPGDTDP1
SCHEMBL6690584 0.78 HPGD (0.61) DRD2DRD4DRD3HSP90AA1ALDH1A1
SCHEMBL29351180 0.76 CYP1A2 (0.65) CYP1A2CYP2D6DRD2DRD3TXN
SCHEMBL212831 0.76 CYP1A2 (0.65) CYP1A2CYP2D6DRD2DRD3TXN
SCHEMBL6901949 0.75 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDTDP1
SCHEMBL6691814 0.75 ALDH1A1 (0.47) DRD2DRD3HSP90AA1HSP90AB1ALDH1A1
SCHEMBL11536996 0.74 CYP1A2 (0.63) CYP1A2CYP2D6DRD2DRD3TXN
SCHEMBL6690578 0.74 PPARA (0.48) CYP1A2CYP2D6NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869016-B1 Pneumatic radial tires BRIDGESTONE CORP (JP) 2004-03-03 EP disclosed
EP-0945482-B1 Rubber composition for tire tread and pneumatic tire using same BRIDGESTONE CORP (JP) 2004-01-28 EP disclosed
EP-1277795-A2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2003-01-22 EP disclosed
US-20020010283-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2002-01-24 US disclosed
US-6336486-B1 Pneumatic radical tire having cap base tread BRIDGESTONE CORPORATION (JP) 2002-01-08 US 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
US-6186204-B1 EXCELLENT STABILITY AND CONTROLLABILITY ON WET ROADS OR A COMBINATION OF STABILITY AND CONTROLLABILITY ON WET ROADS AND EXCELLENT COMFORT OF RIDE EVEN WHEN A VEHICLE IS VIBRATING THROUGHOUT THE LIFE OF THE PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2001-02-13 US disclosed
EP-0948029-A2 High pressure discharge lamp NGK INSULATORS, LTD. (JP) 1999-10-06 EP disclosed
EP-0890605-A2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 1999-01-13 EP disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 EP disclosed
EP-0854168-A1 Rubber composition Bridgestone Corporation (JP) 1998-07-22 EP disclosed