SCHEMBL6636895

SCHEMBL6636895

CC/C(C)=N\NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
RAB9A P51151 6/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPT P10636 6/20 0.64
NPC1 O15118 5/20 0.64
KMT2A Q03164 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 2/20 0.64
GLA P06280 1/20 0.64
SMN1; SMN2 Q16637 10/20 0.59
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
CASP3 P42574 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL1562152 1.00 KDM4E (0.67) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL1562150 1.00 KDM4E (0.67) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL22441528 0.88 OGG1 (0.61) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL6635795 0.88 OGG1 (0.61) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL13609334 0.84 ALDH1A1 (0.67) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL6635773 0.83 KDM4E (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL2991662 0.83 KDM4E (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL2991665 0.83 KDM4E (0.60) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL27178121 0.83 ALDH1A1 (0.66) KDM4ERAB9AALDH1A1MAPTNPC1
SCHEMBL27178127 0.83 ALDH1A1 (0.66) KDM4ERAB9AALDH1A1MAPTNPC1

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