SCHEMBL11673147

SCHEMBL11673147

c1ccc(CN(CCCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
SIGMAR1 Q99720 2/20 0.53
BCHE P06276 3/20 0.51
ACHE P22303 3/20 0.51
KCNH2 Q12809 2/20 0.50
MAOB P27338 2/20 0.50
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL4974601 0.97 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11795941 0.92 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11094954 0.89 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6944690 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8628519 0.89 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1449327 0.89 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8086700 0.89 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL8708196 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11097968 0.89 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL7167397 0.89 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020232-A COATINGS OF AN AMINE DERIVATIVE AND A LEUCO DYE CAPABLE OF REACTING WITH SAID AMINE MITSUBISHI PAPER MILLS, LTD. (JA) 1977-04-26 US disclosed
US-3984605-A Heat sensitive recording material containing decolorizing agent MITSUBISHI PAPER MILLS, LTD. (JA) 1976-10-05 US disclosed