SCHEMBL19445682

SCHEMBL19445682

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL19445763 0.85 LMNA (0.40) SMN1; SMN2LMNASLC22A1ADRB2ADRB1
SCHEMBL19445628 0.76 LMNA (0.38) SMN1; SMN2LMNAKDM4EKMT2APOLB
SCHEMBL13815093 0.75 AAK1 (0.43) LMNAPOLB
SCHEMBL19445587 0.73 GAA (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL19445664 0.73 NPY4R (0.41) HDAC1
SCHEMBL7563176 0.71 LMNA (0.61) SMN1; SMN2LMNASLC22A1ADRB2ADRB1
SCHEMBL19445593 0.70 HSD17B10 (0.41) SMN1; SMN2LMNAKMT2APOLBCYP1A2
SCHEMBL19445573 0.70 LMNA (0.39) SMN1; SMN2LMNAKDM4EKMT2APOLB
SCHEMBL19445753 0.70 HSD17B10 (0.48) SMN1; SMN2LMNASLC22A1ADRB2ADRB1
SCHEMBL130408 0.70 ALDH1A1 (0.64) SMN1; SMN2LMNAKDM4EKMT2APOLB

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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