SCHEMBL17879111

SCHEMBL17879111

Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PTGS2 P35354 2/20 0.39
TSPO P30536 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
ACLY P53396 1/20 0.37
AGTR1 P30556 1/20 0.37
HDAC4 P56524 1/20 0.37
CA9 Q16790 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER4 P35408 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL16664362 0.93 KDM4E (0.45) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL18083035 0.90 KDM4E (0.47) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL26717845 0.89 L3MBTL1 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL26717825 0.89 L3MBTL1 (0.50) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL19238793 0.88 KDM4E (0.51) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL25920142 0.88 KDM4E (0.50) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL17178965 0.88 KDM4E (0.50) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL17109696 0.88 KDM4E (0.46) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL23789129 0.86 KDM4E (0.49) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL16171496 0.86 KDM4E (0.53) AKR1C4AKR1C3AKR1C2AKR1C1L3MBTL1

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-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed