SCHEMBL7053250

SCHEMBL7053250

COc1c(C(=O)O)[nH]c(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ LCK P06239 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL8183536 0.84 CYP1A2 (0.43) MEN1KMT2AALDH1A1
SCHEMBL7253915 0.71 CYP1A2 (0.41) ALDH1A1
SCHEMBL27633285 0.69 MEN1 (0.45) ATRMEN1KMT2APOLBALDH1A1
SCHEMBL3595004 0.68 ATR (0.37) ATRMEN1KMT2ALCKPOLB
SCHEMBL7833634 0.67 KDM4E (0.66) MEN1KMT2ANPSR1GAAALDH1A1
SCHEMBL17728891 0.66 KDM4E (0.34) ATRMEN1KMT2ANPSR1GAA
SCHEMBL27537751 0.65 LCK (0.44) ATRMEN1KMT2ALCKGAA
SCHEMBL17528554 0.65 LCK (0.50) ATRLCKCA1
SCHEMBL7006468 0.65 ATR (0.40) ATRPOLBGAAALDH1A1RAB9A
SCHEMBL5675826 0.65 BRD9 (0.37) NPC1RAB9AMAPTCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 — — WO disclosed
WO-2002004417-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4-AMINO-3-HYDROXYPYRROLE-2-CARBOXYLIC ACID PHARMACIA CORPORAION (US) 2002-01-17 — — WO disclosed
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