SCHEMBL18174734

SCHEMBL18174734

Cc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccnc(C)c5)cc4)c4ccccc34)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
WNT3A P56704 14/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL18174692 0.92 DYRK1A (0.43) CYP3A4CYP2A6WNT3ADYRK1A
SCHEMBL17051593 0.87 CYP3A4 (0.54) CYP3A4CYP2A6WNT3ADYRK1A
SCHEMBL18174738 0.87 DYRK1A (0.50) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL18174722 0.86 WNT3A (0.47) WNT3APSEN1PSEN2APH1BNCSTN
SCHEMBL18174562 0.85 CYP3A4 (0.51) CYP3A4CYP2A6
SCHEMBL18174741 0.85 CYP2A6 (0.43) CYP2A6WNT3APSEN1PSEN2APH1B
SCHEMBL15161072 0.85 CYP3A4 (0.44) CYP3A4CYP2A6
SCHEMBL18174581 0.85 CYP3A4 (0.43) CYP3A4CYP2A6
SCHEMBL10032752 0.84 CYP3A4 (0.40) CYP3A4CYP2A6
SCHEMBL15161090 0.84 CYP2A6 (0.61) CYP3A4CYP2A6DYRK1A

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