SCHEMBL2730846

SCHEMBL2730846

CCN(C(=O)O)c1cnn(-c2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
CYP2A6 P11509 2/20 0.43
ERCC5 P28715 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TGFBR1 P36897 1/20 0.39
RIPK2 O43353 2/20 0.39
HPGDS O60760 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MTOR P42345 1/20 0.38
PRMT5 O14744 1/20 0.38
CYP2E1 P05181 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL14904626 0.88 HTT (0.41) HTTCYP2A6ERCC5KDM4ETGFBR1
SCHEMBL14904711 0.86 HTT (0.40) HTTCYP2A6ERCC5TGFBR1RIPK2
SCHEMBL16562798 0.85 RIPK2 (0.38) HTTCYP2A6KDM4ETGFBR1RIPK2
SCHEMBL2689740 0.85 CPB2 (0.41) HTTCYP2A6ERCC5TGFBR1RIPK2
SCHEMBL2732597 0.84 CYP2A6 (0.42) CYP2A6ERCC5TGFBR1RIPK2HPGDS
SCHEMBL4969169 0.84 HTT (0.39) HTTCYP2A6ERCC5TGFBR1RIPK2
SCHEMBL15356790 0.83 QPCT (0.41) HTTCYP2A6RIPK2NPC1RAB9A
SCHEMBL15356762 0.83 ALDH1A1 (0.38) HTTCYP2A6ERCC5KDM4ETGFBR1
SCHEMBL15975575 0.82 HTT (0.37) HTTCYP2A6ERCC5KDM4ETGFBR1
SCHEMBL15356856 0.82 QPCT (0.40) HTTKDM4ERIPK2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852284-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-04-01 EP disclosed
EP-2840898-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-03-04 EP disclosed
WO-2013162716-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-11-06 WO disclosed
EP-2775843-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-09-17 EP disclosed
WO-2013162715-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
WO-2013162716-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP disclosed
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed