SCHEMBL6636050

SCHEMBL6636050

CC(C)(C)C(=O)NNc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.47
MMP8 P22894 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL27899533 0.83 KDM4E (0.51) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL12862996 0.83 KDM4E (0.62) KDM4EGAAMAPTMMP8RAB9A
SCHEMBL7912905 0.81 CA9 (0.57) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL27899528 0.80 KDM4E (0.58) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL4943635 0.80 GAA (0.59) KDM4EGAARAB9ANPC1CYP1A2
SCHEMBL28439950 0.79 KDM4E (0.56) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL5923740 0.77 GAA (0.67) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL3293384 0.77 KDM4E (0.70) KDM4EGAAMAPTRAB9ANPC1
SCHEMBL12413552 0.76 CA12 (0.56) KDM4EGAAMAPTMMP8RAB9A
SCHEMBL6638197 0.75 PLK1 (0.60) GAAMAPTRAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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