Sugi Predict

Sugi Predict / Compounds / SCHEMBL22707232

SCHEMBL22707232

SCHEMBL22707232

c1ccc(-c2ccc3cccc(-c4c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5cc5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cc(-c8ccccc8)cc8c(-c9c%10cccc(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)c%10cc%10c(-c%11ccc%12c%13ccccc%13n(-c%13ccccc%13)c%12c%11)cccc9%10)cccc78)cc6)cccc45)c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NTSR1 P30989 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ TSPO P30536 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALK Q9UM73 1/20 0.30

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
SCHEMBL22708162 0.93 L3MBTL1 (0.41) KDM4EATML3MBTL1CA12CA1
SCHEMBL22708161 0.92 L3MBTL1 (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL22705747 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL23266759 0.89 L3MBTL1 (0.43) KDM4EATML3MBTL1CA12CA1
SCHEMBL22627947 0.88 KDM4E (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL22705756 0.88 L3MBTL1 (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL22707063 0.87 KDM4E (0.38) KDM4EATML3MBTL1CA12CA1
SCHEMBL22705758 0.87 L3MBTL1 (0.41) KDM4EATML3MBTL1CA12CA1
SCHEMBL23266760 0.86 L3MBTL1 (0.45) KDM4EATML3MBTL1CA12CA1
SCHEMBL25941062 0.86 KDM4E (0.45) KDM4EATML3MBTL1CA12CA1

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed