SCHEMBL18174795

SCHEMBL18174795

Cc1ncccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccncc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
COMT P21964 1/20 0.40
MAPK14 Q16539 6/20 0.40
IMPDH2 P12268 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CKS1B P61024 5/20 0.38
SKP2 Q13309 5/20 0.38
PIK3CA P42336 2/20 0.38
GLO1 Q04760 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL15161030 0.93 MKNK1 (0.48) DHODHMKNK1MKNK2COMTMAPK14
SCHEMBL18174714 0.88 DHODH (0.45) DHODHMKNK1MKNK2COMTMAPK14
SCHEMBL16189088 0.88 MKNK1 (0.54) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL18174774 0.88 PTGS2 (0.47) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL18174712 0.88 DHODH (0.44) DHODHMKNK1MKNK2COMTMAPK14
SCHEMBL9612969 0.87 DHODH (0.47) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL18174796 0.87 DHODH (0.46) DHODHMKNK1MKNK2COMTGLO1
SCHEMBL18174786 0.86 DHODH (0.47) DHODHMKNK1MKNK2COMTCKS1B
SCHEMBL18174797 0.85 CYP17A1 (0.45) DHODHMKNK1MKNK2
SCHEMBL18174794 0.85 DHODH (0.42) DHODHMKNK1MKNK2COMTMAPK14

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