SCHEMBL961653

SCHEMBL961653

NNC(=O)CCC[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CTSD P07339 1/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL960077 0.86
SCHEMBL4330761 0.78 ALDH1A1 (0.44) MEN1LMNABLMHBBKMT2A
SCHEMBL530227 0.77
SCHEMBL28219205 0.75 ALDH1A1 (0.62) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL218953 0.75 KDM4E (0.60) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL49856 0.75 ALDH1A1 (0.62) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL10396767 0.73 ALDH1A1 (0.67) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL219713 0.73 ALDH1A1 (0.67) KDM4ECTSDKDM5CPHF8KDM2A
SCHEMBL9007204 0.73 ALDH1A1 (0.60) KDM4ECTSDKDM5CPHF8KDM2A
Water SCHEMBL4942958 0.73 ALDH1A1 (0.60) KDM4ECTSDKDM5CPHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248833-B1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE BRIDGESTONE CORP (JP) 2014-03-26 EP disclosed
US-20130289165-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-10-31 US disclosed
EP-2655495-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE Compagnie Générale des Etablissements Michelin (FR) 2013-10-30 EP disclosed
US-8389641-B2 Modified diene rubber, production method thereof, and rubber composition and tire using the rubber BRIDGESTONE CORPORATION (JP) 2013-03-05 US disclosed
WO-2012084821-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2012-06-28 WO disclosed
US-20110003911-A1 MODIFIED DIENE RUBBER, PRODUCTION METHOD THEREOF, AND RUBBER COMPOSITION AND TIRE USING THE RUBBER BRIDGESTONE CORPORATION (JP) 2011-01-06 US disclosed
EP-2248833-A1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE Bridgestone Corporation (JP) 2010-11-10 EP disclosed
US-20100249336-A1 MODIFIED NATURAL RUBBER AND METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION AND TIRE USING SUCH A MODIFIED NATURAL RUBBER BRIDGESTONE CORPORATION (JP) 2010-09-30 US disclosed
EP-2206730-A1 MODIFIED NATURAL RUBBER, PROCESS FOR PRODUCTION OF THE SAME, AND RUBBER COMPOSITION AND TIRE EACH COMPRISING THE SAME Bridgestone Corporation (JP) 2010-07-14 EP disclosed
US-6153628-A 1,3,4-thiadiazoles and 1,3,4-Oxadiazoles as αv β3 antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-28 US disclosed
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed