SCHEMBL16214189

SCHEMBL16214189

CCC1(COCCCCCCc2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(CCCCCCOCC6(CC)COC6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(CCCCCCOCC6(CC)COC6)cc5)cc4)cc3)cc2)COC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 2/20 0.37
SIGMAR1 Q99720 3/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2A P28223 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9999913 1.00 TDP1 (0.42) TDP1L3MBTL1KCNH2SIGMAR1MEN1
SCHEMBL24511949 0.97 TDP1 (0.40) TDP1L3MBTL1KCNH2SIGMAR1MGLL
SCHEMBL20347442 0.97 TDP1 (0.40) TDP1L3MBTL1KCNH2SIGMAR1MGLL
SCHEMBL9999911 0.97 TDP1 (0.40) TDP1L3MBTL1KCNH2SIGMAR1MGLL
SCHEMBL3753519 0.97 TDP1 (0.40) TDP1L3MBTL1KCNH2SIGMAR1MGLL
SCHEMBL20652127 0.97 TDP1 (0.40) TDP1L3MBTL1KCNH2SIGMAR1MGLL
SCHEMBL18807384 0.93 TDP1 (0.37) TDP1L3MBTL1KCNH2FAAHMGLL
SCHEMBL18674329 0.92 TDP1 (0.41) TDP1L3MBTL1KCNH2MEN1KMT2A
SCHEMBL24512158 0.92 KCNH2 (0.38) TDP1L3MBTL1KCNH2MEN1KMT2A
SCHEMBL9999912 0.91 TDP1 (0.36) TDP1L3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8878164-B2 Organic light-emitting diode having optical resonator UNIVERSITAET ZU KOELN (DE) 2014-11-04 US disclosed