SCHEMBL28327760

SCHEMBL28327760

Cc1ccccc1-c1nn[nH]c1-c1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.40
▸ MAP2K4 P45985 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ EGFR P00533 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
SCHEMBL28327763 0.84 TP53 (0.42) L3MBTL1GAATRPA1
SCHEMBL23221250 0.84 ALDH1A1 (0.45) L3MBTL1AKT1GAATRPA1PPARG
SCHEMBL28326466 0.83 MAP2K4 (0.46) FYNMAP2K4BRAFTRPA1
SCHEMBL28326483 0.83 FYN (0.40) FYNMAP2K4BRAFAKT1PDCD1
SCHEMBL28326468 0.83 FYN (0.40) FYNMAP2K4BRAFL3MBTL1TRPA1
SCHEMBL28326480 0.83 FYN (0.54) FYNGAACHEK1PPARG
SCHEMBL28327747 0.82 DPP4 (0.42) FYNMAP2K4BRAFAKT1CHEK1
SCHEMBL28326471 0.81 BRAF (0.51) FYNMAP2K4BRAFGAACHEK1
SCHEMBL28327759 0.78 GAA (0.46) GAATRPA1PPARG
SCHEMBL8188945 0.77 HDAC8 (0.50) MGLLHDAC8HDAC6PDCD1CD274

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-110423239-A 1,3- oxazines and 1,2,3- triazole derivative and its synthetic method and application UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-08 — — CN disclosed
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