SCHEMBL29595669

SCHEMBL29595669

c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc(-c5ccncc5)c4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
PIK3CA P42336 1/20 0.48
IMPDH2 P12268 2/20 0.43
MKNK1 Q9BUB5 1/20 0.42
PRKCI P41743 1/20 0.40
KIF11 P52732 1/20 0.40
TNF P01375 1/20 0.39
DHODH Q02127 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL10016743 1.00 NOTUM (0.48) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL9613015 0.94 PIK3CA (0.51) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL10017017 0.88 NOTUM (0.54) NOTUMPIK3CAIMPDH2MKNK1TNF
SCHEMBL24662784 0.88 NOTUM (0.58) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL10017117 0.88 NOTUM (0.52) NOTUMPIK3CAIMPDH2TNFKDM4E
SCHEMBL10016741 0.88 NOTUM (0.46) NOTUMPIK3CAIMPDH2MKNK1TNF
SCHEMBL22956090 0.86 NOTUM (0.56) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL10030090 0.84 NOTUM (0.52) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL21240010 0.84 IMPDH2 (0.48) NOTUMPIK3CAIMPDH2MKNK1PRKCI
SCHEMBL21250873 0.84 PIK3CA (0.49) NOTUMPIK3CAIMPDH2MKNK1PRKCI

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110692146-B Organic electroluminescent element, and display device or lighting device 学校法人关西学院(JP) 2023-01-13 CN disclosed
CN-110249442-B Compound (I) 学校法人关西学院 2022-11-22 CN disclosed
CN-110291652-B Organic electroluminescent element, display device, lighting device, and compound 学校法人关西学院 2022-05-17 CN disclosed