SCHEMBL30118895

SCHEMBL30118895

Cc1ccc(O)c(-c2nc(-c3ccccc3O)n3c2CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMAD3 P84022 1/20 0.34
CHEK2 O96017 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
KDM4A O75164 1/20 0.32

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
SCHEMBL23926379 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23926351 0.96 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL30118953 0.96 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23964515 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL30118924 0.85 KDM4E (0.38) KDM4EMAPTTHRBTGFBR1MAPK14
SCHEMBL23926377 0.85 KDM4E (0.38) KDM4EMAPTTHRBTGFBR1MAPK14
SCHEMBL30118934 0.83 RORC (0.37) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23926372 0.83 RORC (0.37) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23926361 0.83 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL30118892 0.83 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10TDP1

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-115667256-A Compounds for treating diseases and methods of treating diseases 艾特里提治疗有限公司 2023-01-31 CN disclosed