SCHEMBL18174722

SCHEMBL18174722

Cc1cc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccn5)c4)c4ccccc34)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 8/20 0.47
DYRK1A Q13627 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
LRRK2 Q5S007 1/20 0.40
PORCN Q9H237 1/20 0.39
TGFBR1 P36897 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GRM5 P41594 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL18174738 0.90 DYRK1A (0.50) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL18174720 0.88 TGFBR1 (0.43) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL18174741 0.88 CYP2A6 (0.43) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL15160979 0.86 PSEN1 (0.50) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL18174650 0.86 WNT3A (0.45) WNT3ADYRK1ATGFBR1IRAK4PDK2
SCHEMBL18174734 0.86 CYP3A4 (0.43) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL15161099 0.86 DYRK1A (0.46) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL10030093 0.85 GRM5 (0.44) TGFBR1GRM5
SCHEMBL18174673 0.85 WNT3A (0.44) WNT3ADYRK1APSEN1PSEN2APH1B
SCHEMBL10030088 0.84 DHODH (0.46) PDK2

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