SCHEMBL18174655

SCHEMBL18174655

Cc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccnc(C)c5)cc4)c4ccccc34)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
UHRF1 Q96T88 1/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
CYP2A6 P11509 1/20 0.44
PDK2 Q15119 1/20 0.40
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
MAP4K4 O95819 2/20 0.40
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL18174741 0.92 CYP2A6 (0.43) DYRK1AUHRF1CCR1CCR5CCR8
SCHEMBL18174555 0.89 CCR1 (0.55) UHRF1CCR1CCR5CCR8CYP2A6
SCHEMBL16189065 0.88 DYRK1A (0.56) DYRK1AUHRF1PDK2PSEN1PSEN2
SCHEMBL15160984 0.86 CYP2A6 (0.48) CCR1CCR5CCR8CYP2A6MAP4K4
SCHEMBL15977629 0.86 CYP2A6 (0.48) CCR1CCR5CCR8CYP2A6MAP4K4
SCHEMBL18174680 0.84 CYP2A6 (0.50) UHRF1CCR1CCR5CCR8CYP2A6
SCHEMBL18174592 0.83 CYP2A6 (0.46) CCR1CCR5CCR8CYP2A6MAP4K4
SCHEMBL10032684 0.83 CYP2A6 (0.46) CCR1CCR5CCR8CYP2A6
SCHEMBL18174692 0.83 DYRK1A (0.43) DYRK1ACCR1CCR5CCR8CYP2A6
SCHEMBL18174674 0.83 CYP2A6 (0.46) CCR1CCR5CCR8CYP2A6MAP4K4

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed