SCHEMBL19445675

SCHEMBL19445675

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL15277753 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL10262220 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL12515508 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL19445550 0.89 ALDH1A1 (0.39) ALDH1A1MAPK1LMNA
SCHEMBL21371949 0.89 CA1 (0.40) ALDH1A1MAPK1LMNAKMT2AMEN1
SCHEMBL19445176 0.89 LMNA (0.41) ALDH1A1MAPK1POLBLMNANPC1
SCHEMBL19486135 0.89 CA1 (0.40) ALDH1A1MAPK1LMNAKMT2AMEN1
SCHEMBL21372067 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1NPC1RAB9A
SCHEMBL19214484 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1POLBLMNAKMT2A
SCHEMBL10260675 0.88 ALDH1A1 (0.39) ALDH1A1MAPK1NPC1RAB9A

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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