SCHEMBL28056578

SCHEMBL28056578

FC(F)(F)c1ccc(-c2ccc3cc4cc5ccccc5cc4cc3c2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
KIF11 P52732 1/20 0.42
TOP1 P11387 2/20 0.37
MAPT P10636 3/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28501643 0.93 KIF11 (0.41) ESR1KIF11TOP1MAPTBACE1
SCHEMBL3977093 0.85 GPR84 (0.47) ESR1KIF11MEN1KMT2AALDH1A1
SCHEMBL28237160 0.83 GPR84 (0.48) KIF11MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27953238 0.83 KIF11 (0.46) ESR1KIF11TOP1BACE1KDM4E
SCHEMBL17442997 0.82 ESR1 (0.42) ESR1MAPTKDM4EMEN1KMT2A
SCHEMBL30484243 0.82 ESR1 (0.44) ESR1MAPTKDM4EMEN1KMT2A
SCHEMBL3202035 0.82 ESR1 (0.44) ESR1MAPTKDM4EMEN1KMT2A
SCHEMBL49889 0.82 ESR1 (0.44) ESR1MAPTKDM4EMEN1KMT2A
SCHEMBL27525626 0.81 KIF11 (0.47) ESR1KIF11TOP1BACE1KDM4E
SCHEMBL28319674 0.81 GPR84 (0.44) KDM4EPDE10AALDH1A1CYP1A1CYP1A2

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
CN-103664499-B The synthetic method of tetracene and pentacene compounds SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-02 CN disclosed