SCHEMBL28847604

SCHEMBL28847604

C=C(c1ccccc1)c1ccc(CC(C)N(C(C)C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRK1 P41145 2/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
MAOB P27338 6/20 0.37
MAOA P21397 4/20 0.37
CYP1A2 P05177 2/20 0.37
SNCA P37840 2/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL28161974 0.86 GRM2 (0.40) MEN1KMT2AADRA2BADRA2CADRA1A
SCHEMBL6547564 0.81 MEN1 (0.48) MEN1KMT2ASLC6A2HTR2ASLC6A4
SCHEMBL609570 0.77 HDAC1 (0.53) MEN1KMT2ATSHRGRM2
SCHEMBL27977629 0.74 MEN1 (0.46) MEN1KMT2ASIGMAR1GRM2KDM4E
SCHEMBL19143328 0.73 SLC7A5 (0.46) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL23222751 0.73 TAAR1 (0.55) MEN1KMT2AOPRK1SLC6A2SLC6A4
SCHEMBL7186037 0.73 PTGS1 (0.47) MEN1KMT2AHTR2ATSHR
SCHEMBL27977631 0.72 MEN1 (0.47) MEN1KMT2AADRA1ASLC6A2SLC6A4
SCHEMBL6546186 0.71 TP53 (0.54) MEN1KMT2ACYP1A2GRM2
SCHEMBL608912 0.71 KMT2A (0.46) MEN1KMT2AOPRK1GRM2KDM4E

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-104045769-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-10-30 CN disclosed
CN-107001491-B Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2018-07-06 CN disclosed
CN-104098744-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed
CN-104045768-B Conjugated diene polymer, and the polymer composition containing the polymer 住友化学株式会社 2018-02-16 CN disclosed
CN-107001491-A Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2017-08-01 CN disclosed