SCHEMBL23619799

SCHEMBL23619799

c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.51
MAPK10 P53779 6/20 0.51
MAPK8 P45983 3/20 0.51
CSNK1D P48730 6/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK14 Q16539 6/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIK3CA P42336 1/20 0.40
TDO2 P48775 2/20 0.40
GSTP1 P09211 1/20 0.40
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL10017268 0.95 MAPK9 (0.50) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL17320750 0.91 PIK3CA (0.49) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL24662789 0.89 MAPK9 (0.56) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL10017350 0.88 MAPT (0.47) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL17320740 0.88 MAPK9 (0.50) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL10017201 0.87 MAPT (0.46) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL1102718 0.87 TNF (0.50) MAPK9MAPK10MAPK8CSNK1DMAPK11
SCHEMBL1102840 0.87 CYP11B1 (0.46) MAPK9MAPK10MAPK8KDM4ECYP17A1
SCHEMBL4584155 0.87 GSTP1 (0.50) ALDH1A1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL1102628 0.86 CYP11B1 (0.49) MAPK9MAPK10MAPK8KDM4ECYP17A1

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-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed
US-20210210694-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-07-08 US disclosed