SCHEMBL18174633

SCHEMBL18174633

Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccn4)cc3C)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
DHODH Q02127 2/20 0.38
WNT3A P56704 2/20 0.37
GRM4 Q14833 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PDK2 Q15119 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SLC2A1 P11166 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
CYP17A1 P05093 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RET P07949 1/20 0.34
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
RAF1 P04049 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL18174663 0.92 GRM4 (0.37) CYP2A6DHODHWNT3AGRM4DCTPP1
SCHEMBL18174685 0.91 DHODH (0.47) CYP2A6DHODHWNT3APDK2CYP17A1
SCHEMBL18174729 0.89 CYP2A6 (0.42) CYP2A6DHODHGRM4DCTPP1S1PR1
SCHEMBL18174558 0.86 KDM4E (0.44) CYP2A6DHODHWNT3ADCTPP1PDK2
SCHEMBL18174678 0.85 PIK3CA (0.41) DHODHGRM4S1PR1S1PR3CCNC
SCHEMBL18174626 0.83 GRM4 (0.42) DHODHGRM4S1PR1S1PR3CCNC
SCHEMBL18174696 0.83 DHODH (0.47) CYP2A6DHODHDCTPP1PDK2RET
SCHEMBL18174682 0.83 SLC2A1 (0.52) CYP2A6GRM4S1PR1S1PR3PDK2
SCHEMBL18174704 0.82 RAF1 (0.38) CYP2A6DHODHWNT3ADCTPP1PDK2
SCHEMBL18174708 0.82 WNT3A (0.39) CYP2A6DHODHWNT3ADCTPP1PDK2

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