SCHEMBL6635372

SCHEMBL6635372

O=C(N/N=C\c1ccco1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.76
PKM P14618 2/20 0.74
GAA P10253 2/20 0.72
MAPT P10636 6/20 0.69
POLB P06746 5/20 0.68
TDP1 Q9NUW8 4/20 0.68
CTDSP1 Q9GZU7 4/20 0.68
AHR P35869 1/20 0.68
NPC1 O15118 2/20 0.67
RAB9A P51151 1/20 0.67
HTT P42858 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
MCL1 Q07820 1/20 0.62

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
SCHEMBL1562661 1.00 CYP1A2 (0.76) CYP1A2PKMGAAMAPTPOLB
SCHEMBL1562660 1.00 CYP1A2 (0.76) CYP1A2PKMGAAMAPTPOLB
SCHEMBL28044621 0.89 HTT (0.74) CYP1A2PKMGAAMAPTPOLB
SCHEMBL8290481 0.88 MAPT (0.76) CYP1A2PKMGAAMAPTPOLB
SCHEMBL8290446 0.88 CYP1A2 (0.72) CYP1A2PKMGAAMAPTPOLB
SCHEMBL8291390 0.87 MEN1 (0.81) CYP1A2PKMGAAMAPTPOLB
SCHEMBL6055366 0.87 CYP1A2 (1.00) CYP1A2PKMGAAMAPTPOLB
SCHEMBL21258283 0.87 CYP1A2 (0.71) CYP1A2PKMGAAMAPTPOLB
SCHEMBL12443070 0.87 CYP1A2 (1.00) CYP1A2PKMGAAMAPTPOLB
SCHEMBL8291227 0.87 TDP1 (0.85) CYP1A2PKMGAAMAPTPOLB

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-0909788-B1 RUBBER COMPOSITION AND PNEUMATIC TIRES BRIDGESTONE CORP (JP) 2004-12-01 EP disclosed
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed