SCHEMBL19445851

SCHEMBL19445851

COc1ccc(NC(=O)CNC(=O)c2cc(NC(=O)[C@H](N)CCCNC(=N)N)ccc2OCCNC(=N)N)cc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ AAK1 Q2M2I8 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ TERT O14746 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL13815093 0.87 AAK1 (0.43) AAK1LMNAPOLB
SCHEMBL12515466 0.83 KCNB1 (0.40) NPC1AAK1
SCHEMBL10262542 0.83 NPY4R (0.40) AAK1
SCHEMBL10261776 0.83 NPY4R (0.40) AAK1
SCHEMBL10262551 0.83 NPY4R (0.40) AAK1
SCHEMBL10268056 0.83 NPY4R (0.40) AAK1
SCHEMBL19445632 0.82 NPY4R (0.40) NPC1AAK1ALDH1A1
SCHEMBL19445664 0.81 NPY4R (0.41) AAK1HDAC1
SCHEMBL19485893 0.81 NPC1 (0.41) NPC1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13815082 0.81 AAK1 (0.44) AAK1LMNAPOLB

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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