SCHEMBL15733100

SCHEMBL15733100

O=C1CCCN1N=NN1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
LMNA P02545 2/20 0.38
PIK3CD O00329 1/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 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
SCHEMBL103451 0.81
SCHEMBL14267986 0.79
SCHEMBL15049110 0.75 BRD4 (0.39) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL104286 0.74
SCHEMBL6428694 0.74
SCHEMBL9772377 0.74 BRD4 (0.43) BRD4BRD2LMNAPIK3CDTSHR
SCHEMBL4393265 0.74
SCHEMBL19112993 0.72
SCHEMBL8445564 0.72 ALDH1A1 (0.36) BRD4BRD2LMNACYP1A2CHRM2
SCHEMBL4394124 0.71 BRD4 (0.40) BRD4BRD2LMNAPIK3CDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590760-B 2, 1-benzisoxazole derivative and synthetic method and application thereof 武汉工程大学 2023-06-06 CN disclosed
CN-111419738-A Solid powder cosmetic and preparation method thereof 李福娟 2020-07-17 CN disclosed
US-10288943-B2 Black sealant composition, display device including the same, and method of manufacturing display device LG DISPLAY CO., LTD. (KR) 2019-05-14 US disclosed
CN-103834323-B Black encapsulant composition, includes its display device and the method that manufactures the display device 乐金显示有限公司 2017-08-01 CN disclosed
CN-103834323-A Black sealant composition, display device comprising the same and method of manufacturing for the display device LG DISPLAY CO LTD 2014-06-04 CN disclosed
US-20140147659-A1 BLACK SEALANT COMPOSITION, DISPLAY DEVICE INCLUDING THE SAME, AND METHOD OF MANUFACTURING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2014-05-29 US disclosed