SCHEMBL7682461

SCHEMBL7682461

CC(=O)N[C@@H](CC(C)C)[C@H]1C(c2c[nH]cn2)CC(C(=O)OC(C)(C)C)N1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ POLB P06746 4/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL6700319 1.00 KMT2A (0.36) KMT2AL3MBTL1MAPTNPSR1POLB
SCHEMBL6695414 0.84 KMT2A (0.36) KMT2AL3MBTL1MAPTNPSR1POLB
SCHEMBL6698365 0.80 KMT2A (0.41) KMT2AL3MBTL1NPSR1MEN1MAPK1
SCHEMBL6693830 0.78 KMT2A (0.39) KMT2AL3MBTL1NPSR1MEN1MAPK1
SCHEMBL7230182 0.77 POLB (0.34) KMT2AMAPTNPSR1POLBTDP1
SCHEMBL7232763 0.77 POLB (0.34) KMT2AMAPTNPSR1POLBTDP1
SCHEMBL6693489 0.77 KMT2A (0.35) KMT2AL3MBTL1MAPTNPSR1POLB
SCHEMBL6704197 0.76 KMT2A (0.42) KMT2AL3MBTL1
SCHEMBL6698778 0.76 KMT2A (0.37) KMT2AL3MBTL1NPSR1MEN1MAPK1
SCHEMBL6697245 0.76 SIGMAR1 (0.40) KMT2AL3MBTL1MAPTNPSR1POLB

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-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 — — US disclosed
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