SCHEMBL18174635

SCHEMBL18174635

Cc1cnccc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccnc4C)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DHODH Q02127 1/20 0.43
GRM4 Q14833 1/20 0.41
CYP17A1 P05093 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 1/20 0.37
PTGS2 P35354 3/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP2A6 P11509 1/20 0.36
TNF P01375 1/20 0.35
PIP4K2A P48426 1/20 0.35
NPY5R Q15761 1/20 0.35
PIK3CA P42336 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL18174755 0.93 DHODH (0.41) MKNK1MKNK2DHODHGRM4CYP17A1
SCHEMBL18174794 0.92 DHODH (0.42) MKNK1MKNK2DHODHGRM4CYP17A1
SCHEMBL18174688 0.89 CYP17A1 (0.46) MKNK1MKNK2DHODHCYP17A1CYP1A2
SCHEMBL18174564 0.88 GRM4 (0.49) DHODHGRM4CYP17A1CYP1A2CYP19A1
SCHEMBL16189088 0.87 MKNK1 (0.54) MKNK1MKNK2DHODHPTGS2PTGS1
SCHEMBL15161030 0.85 MKNK1 (0.48) MKNK1MKNK2DHODHMAPK14MAPK13
SCHEMBL18174649 0.85 CYP2A6 (0.51) DHODHGRM4CYP17A1CYP1A2CYP19A1
SCHEMBL18174706 0.84 EDNRB (0.47) MKNK1MKNK2DHODHCYP1A2CYP19A1
SCHEMBL18174797 0.84 CYP17A1 (0.45) MKNK1MKNK2DHODHCYP17A1CYP1A2
SCHEMBL15161039 0.84 GRM4 (0.46) DHODHGRM4CYP17A1CYP1A2CYP19A1

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