SCHEMBL6055366

SCHEMBL6055366

O=C(NN=Cc1ccco1)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
POLB P06746 4/20 0.72
KDM4E B2RXH2 3/20 0.72
MAPT P10636 5/20 0.69
GAA P10253 1/20 0.67
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 1/20 0.64
TDP1 Q9NUW8 2/20 0.63
AHR P35869 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
KMT2A Q03164 3/20 0.62
PKM P14618 2/20 0.61
RAB9A P51151 1/20 0.61
MGAM O43451 1/20 0.58

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
SCHEMBL12443070 1.00 CYP1A2 (1.00) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL6635372 0.87 CYP1A2 (0.76) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL1562661 0.87 CYP1A2 (0.76) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL1562660 0.87 CYP1A2 (0.76) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL9369706 0.85 MAPT (0.74) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL13497036 0.85 MAPT (0.74) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL8290481 0.84 MAPT (0.76) CYP1A2POLBMAPTGAAALDH1A1
SCHEMBL8290446 0.84 CYP1A2 (0.72) CYP1A2POLBMAPTGAAALDH1A1
SCHEMBL21258283 0.83 CYP1A2 (0.71) CYP1A2POLBKDM4EMAPTGAA
SCHEMBL8291227 0.83 TDP1 (0.85) CYP1A2POLBKDM4EMAPTGAA

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-1083199-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2006-08-02 EP claimed
EP-1083199-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2006-08-02 EP disclosed
US-6506849-B1 Natural or synthetic rubber; maleimide compound; and polyaniline, hydrazide and/or amine compound; workability, elasticity BRIDGESTONE CORPORATION (JP) 2003-01-14 US disclosed
EP-1083199-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2001-03-14 EP disclosed