SCHEMBL9545868

SCHEMBL9545868

CCOC(=O)[C@H](CO)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 1/20 0.42
PRKCA P17252 2/20 0.42
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BLM P54132 2/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL7116909 0.81 PTPN1 (0.53) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL20334271 0.76 KMT2A (0.53) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL11801960 0.76 MEN1 (0.53) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL16726920 0.75 MEN1 (0.56) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL30013408 0.74 GAA (0.50) TDP1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11021100 0.74 MEN1 (0.51) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL16140780 0.74 MEN1 (0.63) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL8428746 0.73 MEN1 (0.61) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL30066027 0.73 MEN1 (0.61) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL27958881 0.72 TSHR (0.43) MAPTMEN1KMT2ALMNAMAPK1

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-1993019037-A1 COMPOUNDS IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1993-09-30 WO disclosed