SCHEMBL18174787

SCHEMBL18174787

Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)cc4)c4ccccc34)c3ccccc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
NFATC1 O95644 1/20 0.44
DYRK1A Q13627 1/20 0.44
CYP17A1 P05093 4/20 0.42
CYP1A2 P05177 4/20 0.42
ABL1 P00519 5/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
WNT1 P04628 2/20 0.40
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
WNT3A P56704 1/20 0.37
PIK3CA P42336 1/20 0.36
PDK2 Q15119 1/20 0.36

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) DHODHNFATC1DYRK1ACYP17A1CYP1A2
SCHEMBL18174780 0.90 CYP17A1 (0.42) DHODHNFATC1DYRK1ACYP17A1CYP1A2
SCHEMBL18174756 0.90 NFATC1 (0.44) DHODHNFATC1DYRK1ACYP17A1CYP1A2
SCHEMBL18174770 0.88 DHODH (0.49) DHODHCYP17A1CYP1A2ABL1CYP11B1
SCHEMBL15161092 0.88 CYP17A1 (0.47) DHODHNFATC1DYRK1ACYP17A1CYP1A2
SCHEMBL18174718 0.87 CYP17A1 (0.44) DHODHNFATC1DYRK1ACYP17A1CYP1A2
SCHEMBL18174762 0.86 PIK3CA (0.49) NFATC1DYRK1ACDC7ROCK2MAP4K4
SCHEMBL9612942 0.86 DHODH (0.52) DHODHCYP17A1CYP1A2ABL1CYP11B1
SCHEMBL18174771 0.85 DHODH (0.47) DHODHDYRK1ACYP17A1CYP1A2ABL1
SCHEMBL9612957 0.84 DHODH (0.48) DHODHCYP17A1CYP1A2ABL1CYP11B1

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