SCHEMBL12287028

SCHEMBL12287028

c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)s3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ATM Q13315 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HDAC4 P56524 1/20 0.39
▸ PTPN1 P18031 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ IL1R1 P14778 1/20 0.37
▸ MAPK8 P45983 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ PGR P06401 2/20 0.33
▸ APP P05067 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL12546720 0.90 L3MBTL1 (0.59) L3MBTL1ATMKDM4EHDAC4PTPN1
SCHEMBL12031756 0.90 L3MBTL1 (0.57) L3MBTL1ATMKDM4EHDAC4PTPN1
SCHEMBL23044992 0.89 L3MBTL1 (0.67) L3MBTL1ATMKDM4EHDAC4KMT2A
SCHEMBL2608119 0.89 L3MBTL1 (0.55) L3MBTL1ATMKDM4EHDAC4PTPN1
SCHEMBL10331529 0.85 L3MBTL1 (0.53) L3MBTL1ATMKDM4EHDAC4PTPN1
SCHEMBL10331540 0.85 L3MBTL1 (0.53) L3MBTL1ATMKDM4EHDAC4PTPN1
SCHEMBL25862491 0.85 L3MBTL1 (0.49) L3MBTL1ATMKDM4EHDAC4KMT2A
SCHEMBL25862777 0.85 L3MBTL1 (0.49) L3MBTL1ATMKDM4EHDAC4KMT2A
SCHEMBL12286285 0.85 L3MBTL1 (0.78) L3MBTL1ATMKDM4EHDAC4PTPN1
Sulfur Dioxide SCHEMBL27969529 0.84 KDM4E (0.50) L3MBTL1ATMKDM4EHDAC4PTPN1

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
WO-2011132866-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-10-27 — — WO disclosed
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