SCHEMBL6690986

SCHEMBL6690986

COc1ccc2nc(SN(C3CCCCC3)C3CCCCC3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
RAB9A P51151 7/20 0.48
MAPT P10636 7/20 0.48
NPC1 O15118 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
ITK Q08881 1/20 0.46
APP P05067 5/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44

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
SCHEMBL6690578 0.90 PPARA (0.48) PDK1MAOAMAOBRAB9AMAPT
SCHEMBL6691563 0.87 RAB9A (0.53) RAB9AMAPTNPC1CYP1A2CYP2C19
SCHEMBL6697861 0.85 RAB9A (0.46) PDK1RAB9AMAPTNPC1CYP1A2
SCHEMBL6694184 0.78 ALDH1A1 (0.63) PDK1MAOAMAOBRAB9AMAPT
SCHEMBL6690252 0.78 RAB9A (0.44) RAB9AMAPTNPC1CYP1A2CYP2C19
SCHEMBL212831 0.78 CYP1A2 (0.65) PDK1MAOBRAB9AMAPTNPC1
SCHEMBL29351180 0.78 CYP1A2 (0.65) PDK1MAOBRAB9AMAPTNPC1
SCHEMBL11536996 0.76 CYP1A2 (0.63) PDK1MAOBRAB9AMAPTNPC1
SCHEMBL6694305 0.76 CYP1A2 (0.41) RAB9ANPC1CYP1A2TSHR
SCHEMBL6693668 0.75 PDK1 (1.00) PDK1RAB9AMAPTNPC1CYP1A2

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