SCHEMBL28416622

SCHEMBL28416622

c1ccc2c(-c3ccc(-c4ccc(-c5c[nH]c6ccccc56)cc4)cc3)c[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.78
IMPDH2 P12268 3/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TDO2 P48775 6/20 0.59
ALOX5 P09917 1/20 0.56
SIRT2 Q8IXJ6 2/20 0.55
PRKD3 O94806 1/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
ABL1 P00519 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
PRKCA P17252 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55

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
SCHEMBL28377762 0.98 NR4A2 (0.81) NR4A2IMPDH2MAPK1HSD17B10TDO2
3-Phenylindole SCHEMBL84056 0.91 IMPDH2 (0.71) NR4A2IMPDH2MAPK1HSD17B10TDO2
3-Phenylindole SCHEMBL29609072 0.91 IMPDH2 (0.71) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL31517811 0.88 NR4A2 (0.68) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL31517691 0.88 NR4A2 (0.68) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL1879218 0.88 NR4A2 (1.00) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL1071072 0.88 NR4A2 (0.68) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL11515884 0.88 ALOX5 (0.71) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL31517697 0.88 ALOX5 (0.71) NR4A2IMPDH2MAPK1HSD17B10TDO2
SCHEMBL10768605 0.88 NR4A2 (0.68) NR4A2IMPDH2MAPK1HSD17B10TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108292708-B Organic electroluminescent device 保土谷化学工业株式会社 2020-03-03 CN disclosed