SCHEMBL28200030

SCHEMBL28200030

CC(c1ccccc1)C(C(=O)Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 2/20 0.48
SRC P12931 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.40
MME P08473 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2644963 0.85 CYP2D6 (0.54) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL10981334 0.85 CYP2D6 (0.54) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL10582145 0.85 CYP2D6 (0.54) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL3392489 0.83 CYP2D6 (0.70) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL15554269 0.83 CYP2D6 (0.70) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL28213572 0.81 CYP2D6 (0.43) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL8376271 0.79 CYP2D6 (0.52) CYP2D6KMT2ASRCLMNAALDH1A1
SCHEMBL11867880 0.79 LMNA (0.45) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL2644175 0.79 CHRM2 (0.52) CYP2D6KMT2ALMNASMN1; SMN2MEN1
SCHEMBL12870188 0.78 CYP2D6 (0.56) CYP2D6KMT2ASRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109097068-B Liquid crystal mixture, wide-band light reflection device and method of using the same 京东方科技集团股份有限公司 2020-07-07 CN disclosed
CN-107619378-B Chipal compounds and liquid crystal material and preparation method thereof, display device 京东方科技集团股份有限公司 2019-07-30 CN disclosed
CN-109097068-A Liquid crystal compound, broadband light reflection device and its application method 京东方科技集团股份有限公司 2018-12-28 CN disclosed
CN-107619378-A Chipal compounds and liquid crystal material and preparation method thereof, display device 京东方科技集团股份有限公司 2018-01-23 CN disclosed