SCHEMBL6153230

SCHEMBL6153230

CCOc1ccc(N=C=O)cc1N=C=O.O=C=Nc1ccc(Cl)c(N=C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.46
RORC P51449 1/20 0.36
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 4/20 0.34
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL11660774 0.93 MAPK1 (0.42) TDP1MAPK1CYP3A4TRPA1RORC
SCHEMBL166652 0.91 CYP3A4 (0.54) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL29703185 0.91 CYP3A4 (0.54) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL11748612 0.84 MAPK1 (0.53) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL1428432 0.84 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1RORC
SCHEMBL49899 0.82 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL29365125 0.82 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9576009 0.80 CYP3A4 (0.51) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL10533157 0.79 ALDH1A1 (0.37) TDP1MAPK1CYP3A4RORCALDH1A1
SCHEMBL9835490 0.79 KDM4E (0.39) TDP1MAPK1CYP3A4TRPA1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005511798-A 2005-04-28 JP claimed
EP-1448732-A1 ROOM TEMPERATURE CURABLE X-HNBR COATING Lord Corporation (US) 2004-08-25 EP claimed
US-20030152790-A1 Room temperature curable functionalized HNBR coating LORD CORPORATION 2003-08-14 US claimed
WO-2003042309-A1 ROOM TEMPERATURE CURABLE X-HNBR COATING LORD CORPORATION (US) 2003-05-22 WO claimed
EP-1512523-A1 Tire with indicia THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-09 EP disclosed
WO-2003048261-A1 ROOM TEMPERATURE CURABLE FLUOROPOLYMER COATING LORD CORPORATION (US) 2003-06-12 WO disclosed
WO-2003046093-A1 ROOM TEMPERATURE CURABLE OIL RESISTANT ELASTOMER COATING LORD CORPORATION (US) 2003-06-05 WO disclosed