SCHEMBL27735142

SCHEMBL27735142

CCCCC1(CCCC)c2ccccc2-c2cccc(Br)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
PDE7A Q13946 2/20 0.36
ELANE P08246 1/20 0.36
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
PDK2 Q15119 4/20 0.33
PGR P06401 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RECQL P46063 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL28205809 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL27923635 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL27942749 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL27630363 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL27517960 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL31531016 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL3202110 0.94 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL1794338 0.92 MMP2 (0.38) APEX1PDE7AGRM2PDK2MAPT
SCHEMBL27614932 0.90 PDE7A (0.41) APEX1PDE7AGRM2PDK2PGR
SCHEMBL27497358 0.83 PDE7A (0.38) APEX1PDE7AELANEPDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105973472-B A kind of near-infrared fluorescent temperature sensing method and material 北京大学 2019-02-22 CN disclosed
CN-108727415-A compound and organic electroluminescence device 北京鼎材科技有限公司 2018-11-02 CN disclosed
CN-108586387-A D-A-pi-A type benzothiadiazole derivative based on phenyl bridging and carboxyl end capping and preparation method thereof 东莞理工学院 2018-09-28 CN disclosed
CN-106700035-A Dual-core three-arm star-type white light-emitting polymer and preparation method thereof 福建师范大学 2017-05-24 CN disclosed
CN-103936659-A Compound containing carbon bridged carbazole structural unit, its preparation method and its application SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2014-07-23 CN disclosed
CN-101671256-B Preparation and application of N, N' -bis (triphenylamine) fluorene diamine hole injection material UNIV HONG KONG BAPTIST 2013-01-23 CN disclosed
CN-102061097-B Two-photon fluorescent bio-silk material and preparation method thereof UNIV DONGHUA 2012-07-25 CN disclosed
CN-102061097-A Two-photon fluorescent bio-silk material and preparation method thereof UNIV DONGHUA 2011-05-18 CN disclosed
CN-101671256-A Preparation and application of N, N' -bis (triphenylamine) fluorene diamine hole injection material UNIV HONG KONG BAPTIST 2010-03-17 CN disclosed
CN-101381601-A Oligomer blue light electroluminescence material and synthetic method thereof UNIV NANJING POSTS & TELECOMM (CN) 2009-03-11 CN disclosed