SCHEMBL6636638

SCHEMBL6636638

CCC/C(C)=N/NC(=O)c1ccc2ccccc2c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
BRCA1 P38398 1/20 0.56
HBB P68871 1/20 0.56
HIF1A Q16665 1/20 0.56
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
KDM4A O75164 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
LDHA P00338 1/20 0.49

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
SCHEMBL29586941 1.00 SMN1; SMN2 (0.67) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2278809 1.00 SMN1; SMN2 (0.67) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2278812 1.00 SMN1; SMN2 (0.67) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2276263 0.90 SMN1; SMN2 (0.57) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2276266 0.90 SMN1; SMN2 (0.57) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL6638592 0.90 SMN1; SMN2 (0.57) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL29607527 0.90 SMN1; SMN2 (0.57) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2283557 0.86 TP53 (0.61) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL5705734 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAATP53CYP1A2CYP3A4
SCHEMBL2276912 0.84 SMN1; SMN2 (0.54) SMN1; SMN2GAATP53CYP1A2CYP3A4

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