SCHEMBL18992124

SCHEMBL18992124

CC1(C(N)=O)CC1(C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.31
OR51E2 Q9H255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL4214351 0.84
SCHEMBL14470773 0.81
SCHEMBL9577974 0.79
SCHEMBL15541621 0.79
SCHEMBL19689585 0.71 PKM (0.48) PKMLMNAALOX15BLMPMP22
SCHEMBL11788006 0.71
SCHEMBL23199589 0.69 TSHR (0.38) PKMCYP2C19SMN1; SMN2TDP1FFAR3
SCHEMBL12699161 0.69 TSHR (0.38) PKMCYP2C19SMN1; SMN2TDP1FFAR3
SCHEMBL16533608 0.69 PKM (0.36) PKMCYP2C19LMNASMN1; SMN2TDP1
SCHEMBL19307390 0.69 FFAR3 (0.47) PKMCYP3A4CYP2C19LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105123695-B Soft rot control agent and Disease-Control for Soft-Rotting method 石原产业株式会社 2018-03-06 CN claimed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 EP disclosed
CN-108430993-A TANK-BINDING KINASE INHIBITOR COMPOUNDS 吉利德科学公司 2018-08-21 CN disclosed
CN-105050406-B Composition comprising triazole compound 巴斯夫农业公司 2017-09-15 CN disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
CN-103012285-A Polymorphs of 3-(e)-2-{2-[6-(2-cyanophenoxy) pyrimidin-4-yloxy]-phenyl}-3-methoxy-acrylate MAKHTESHIM CHEM WORKS LTD (IL) 2013-04-03 CN disclosed
CN-101621926-A Polymorphic forms of 3- (E) -2- { 2- [ 6- (2-cyanophenoxy) pyrimidin-4-yloxy ] -phenyl } -3-methoxy-acrylate MAKHTESHIM CHEM WORKS LTD (IL) 2010-01-06 CN disclosed
CN-1255040-A Method for controlling harmful fungi BASF AG (DE) 2000-05-31 CN disclosed