SCHEMBL18174774

SCHEMBL18174774

Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
DHODH Q02127 1/20 0.46
CKS1B P61024 6/20 0.45
SKP2 Q13309 6/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 2/20 0.41
COMT P21964 1/20 0.41
EDNRA P25101 2/20 0.40
CYP2A6 P11509 1/20 0.40
EDNRB P24530 1/20 0.40
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NUDT1 P36639 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
SCHEMBL18174706 0.91 EDNRB (0.47) PTGS2DHODHMKNK1MKNK2CYP11B1
SCHEMBL15161029 0.89 SLC2A1 (0.48) PTGS2DHODHCKS1BSKP2MKNK1
SCHEMBL18174786 0.88 DHODH (0.47) PTGS2DHODHCKS1BSKP2MKNK1
SCHEMBL18174795 0.88 DHODH (0.46) DHODHCKS1BSKP2MKNK1MKNK2
SCHEMBL18174726 0.88 SLC2A1 (0.47) PTGS2DHODHCKS1BSKP2MKNK1
SCHEMBL18174765 0.86 DHODH (0.44) PTGS2DHODHCKS1BSKP2MKNK1
SCHEMBL15161063 0.86 PIK3CA (0.43) PTGS2DHODHMKNK1MKNK2CYP11B1
SCHEMBL18174797 0.85 CYP17A1 (0.45) PTGS2DHODHMKNK1MKNK2
SCHEMBL18174794 0.85 DHODH (0.42) PTGS2DHODHMKNK1MKNK2COMT
SCHEMBL16189088 0.84 MKNK1 (0.54) PTGS2DHODHCKS1BSKP2MKNK1

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