SCHEMBL28877435

SCHEMBL28877435

CC(=O)Oc1ccccc1NC(=O)c1cc(O)c(CC(=O)O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.47
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.44
MCL1 Q07820 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL28877452 0.83 TOP1 (0.43) TOP1KMT2AMEN1MAPTKDM4E
SCHEMBL30032466 0.82 NR1H4 (0.56) GAANR1H4NPC1TP53LMNA
SCHEMBL23796529 0.82 NR1H4 (0.56) GAANR1H4NPC1TP53LMNA
SCHEMBL28877448 0.81 MEN1 (0.56) TOP1KMT2AMEN1KDM4EPOLB
SCHEMBL11691503 0.80 MEN1 (0.61) TOP1KMT2AMEN1MAPTKDM4E
SCHEMBL23796274 0.80 KMT2A (0.51) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL28877417 0.80 NR1H4 (0.49) TOP1KMT2AMEN1MAPTKDM4E
SCHEMBL28877413 0.78 TOP1 (0.48) TOP1KMT2AMEN1MAPTKDM4E
SCHEMBL23796620 0.76 NR1H4 (0.43) GAANR1H4NPC1TP53LMNA
SCHEMBL30032625 0.76 NR1H4 (0.43) GAANR1H4NPC1TP53LMNA

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-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN claimed