SCHEMBL18174780

SCHEMBL18174780

Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 11/20 0.42
CYP1A2 P05177 11/20 0.42
DYRK1A Q13627 2/20 0.41
NFATC1 O95644 1/20 0.41
WNT3A P56704 1/20 0.41
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PDK2 Q15119 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
SCHEMBL18174642 0.91 DHODH (0.46) CYP17A1CYP1A2DYRK1ANFATC1WNT3A
SCHEMBL18174787 0.90 DHODH (0.46) CYP17A1CYP1A2DYRK1ANFATC1WNT3A
SCHEMBL18174779 0.90 DYRK1A (0.41) DYRK1ANFATC1WNT3APDE10ACDC7
SCHEMBL18174718 0.87 CYP17A1 (0.44) CYP17A1CYP1A2DYRK1ANFATC1WNT3A
SCHEMBL18174762 0.86 PIK3CA (0.49) DYRK1ANFATC1WNT3APDE10ACDC7
SCHEMBL15161092 0.85 CYP17A1 (0.47) CYP17A1CYP1A2DYRK1ANFATC1WNT3A
SCHEMBL18174792 0.85 CYP17A1 (0.41) CYP17A1CYP1A2DHODH
SCHEMBL18174662 0.85 DYRK1A (0.43) DYRK1ANFATC1WNT3APDE10ACDC7
SCHEMBL9612984 0.84 DYRK1A (0.45) DYRK1AWNT3ACDC7ROCK2MAP4K4
SCHEMBL18174743 0.84 DYRK1A (0.47) DYRK1ANFATC1WNT3ACDC7ROCK2

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