SCHEMBL14947206

SCHEMBL14947206

C/N=C\c1ccc(C2=NCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.40
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.32
MMP12 P39900 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL16771905 1.00 LSS (0.40) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL132013 0.80 KCNH2 (0.49) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL2435102 0.77 LSS (0.45) LSSKCNH2HRH3LTA4HKDM4E
SCHEMBL4576309 0.77 LSS (0.42) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL1814199 0.74 KCNH2 (0.43) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL14573121 0.74 LSS (0.39) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL10520360 0.72 KCNH2 (0.48) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL9475161 0.72 KCNH2 (0.44) LSSKCNH2HRH3LTA4HSMN1; SMN2
SCHEMBL20410837 0.72 KCNH2 (0.44) LSSKCNH2HRH3LTA4HSMN1; SMN2
Styrene SCHEMBL27729578 0.72 ALDH1A1 (0.45) LSSKCNH2HRH3LTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394434-B2 Rubber composition containing a modified elastomer, method for preparing same, and tire containing same COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-9394434-B2 Rubber composition containing a modified elastomer, method for preparing same, and tire containing same COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-9394380-B2 Graft polymer to which combined nitrogen molecules are grafted COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2016-07-19 US disclosed
US-20130131279-A1 GRAFT POLYMER TO WHICH COMBINED NITROGEN MOLECULES ARE GRAFTED Mchelin Recherche et Technique S.A. (CH) 2013-05-23 US disclosed
US-20130123418-A1 RUBBER COMPOSITION CONTAINING A MODIFED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-05-16 US disclosed
US-20130123418-A1 RUBBER COMPOSITION CONTAINING A MODIFED ELASTOMER, METHOD FOR PREPARING SAME, AND TIRE CONTAINING SAME MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-05-16 US disclosed