SCHEMBL19445717

SCHEMBL19445717

COc1ccc(NC(=O)C(CCCCN)NC(=O)c2cc(NC(=O)C(CCCCN)NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)ccc2OC)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.46
▸ SUV39H2 Q9H5I1 2/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 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
SCHEMBL12515243 1.00 GHSR (0.46) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19219010 0.99 GHSR (0.46) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL10262860 0.98 SUV39H2 (0.48) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19945124 0.97 SUV39H2 (0.48) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL17949851 0.95 UTS2R (0.43) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL12515259 0.95 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19219738 0.94 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19485999 0.92 MAPT (0.49) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL19445718 0.92 GHSR (0.44) GHSRSUV39H2MAPTHDAC8HDAC3
SCHEMBL12515369 0.91 ERAP1 (0.54) SUV39H2MAPTMEN1KMT2ASMN1; SMN2

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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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