SCHEMBL28458703

SCHEMBL28458703

N#CC(F)(F)c1ccc(C(F)(F)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
AR P10275 4/20 0.33
ACSS2 Q9NR19 1/20 0.33
PTPN5 P54829 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
CYP19A1 P11511 4/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
BRCA1 P38398 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 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
SCHEMBL22470159 0.92 KIF11 (0.52) KIF11ALDH1A1KDM4EMEN1ALOX15
SCHEMBL18603172 0.89 KCNN4 (0.37) KIF11CYP19A1ALDH1A1KDM4EMEN1
SCHEMBL18603148 0.87 CYP19A1 (0.41) KIF11ARCYP19A1MEN1KMT2A
SCHEMBL25801676 0.87 TRPV1 (0.35) KIF11
SCHEMBL25803812 0.87 TRPV4 (0.34) KIF11
SCHEMBL23588042 0.87 CA1 (0.42) KIF11CYP19A1ALDH1A1KDM4EALOX15
SCHEMBL4047321 0.87 TSHR (0.50) KIF11ARALDH1A1TSHR
SCHEMBL3399235 0.86 TSHR (0.50) KIF11ACSS2ALDH1A1MEN1KMT2A
SCHEMBL25803804 0.83 PDE2A (0.47) KIF11
SCHEMBL22481523 0.82 ESR1 (0.36) KIF11ACSS2ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112337300-A Intelligent industrial waste gas purifying device 苏州圣典企业管理咨询有限公司 2021-02-09 CN claimed
CN-112156773-A High-efficiency VOC photolysis catalyst 苏州圣典企业管理咨询有限公司 2021-01-01 CN claimed
CN-112337300-A Intelligent industrial waste gas purifying device 苏州圣典企业管理咨询有限公司 2021-02-09 CN disclosed
CN-112156773-A High-efficiency VOC photolysis catalyst 苏州圣典企业管理咨询有限公司 2021-01-01 CN disclosed
CN-108855012-B Polyarylether covalent organic framework material and preparation method thereof 吉林大学 2020-10-13 CN disclosed