SCHEMBL28115897

SCHEMBL28115897

Cc1cc(C(F)(F)F)c(CN)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UHRF1 Q96T88 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CACNA1H O95180 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LOX P28300 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
LMNA P02545 1/20 0.33
IDO1 P14902 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
RAC1 P63000 1/20 0.32

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
SCHEMBL16647335 0.81 KDM4E (0.39) HPGDHSD17B10NR1H2NR1H3KDM4E
SCHEMBL22447153 0.81 CACNA1H (0.35) HPGDHSD17B10UHRF1CACNA1HNR1H2
SCHEMBL16647331 0.78 LMNA (0.42) HPGDHTR2AHTR2CCACNA1HKDM4E
SCHEMBL25909026 0.77 RXRA (0.40) HPGDHSD17B10KDM4E
SCHEMBL29707486 0.75 UHRF1 (0.52) UHRF1KDM4ELMNANOS3NOS1
SCHEMBL317221 0.75 UHRF1 (0.52) UHRF1KDM4ELMNANOS3NOS1
SCHEMBL15857991 0.74 UHRF1 (0.39) HPGDHSD17B10UHRF1KDM4EHSP90AA1
Hydrochloric Acid SCHEMBL5010733 0.74 UHRF1 (0.50) UHRF1KDM4ELMNANOS3NOS1
Hydrochloric Acid SCHEMBL18765302 0.74 UHRF1 (0.50) UHRF1KDM4ELMNANOS3NOS1
Hydrochloric Acid SCHEMBL29505702 0.74 UHRF1 (0.50) UHRF1KDM4ELMNANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790160-A Pyrido 5-membered aromatic cyclics, preparation method and the usage 上海海和药物研究开发有限公司 2019-05-21 CN disclosed
CN-105308038-B The inhibitor of Zeste enhancers homologue 2 葛兰素史密斯克莱知识产权(第2 号)有限公司 2018-05-29 CN disclosed
CN-106170290-A Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof 西格诺药品有限公司 2016-11-30 CN disclosed