SCHEMBL19445576

SCHEMBL19445576

COc1ccc(NC(=O)C(C)CCCCN)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AAK1 Q2M2I8 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ TERT O14746 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
SCHEMBL15317942 0.83 LMNA (0.46) SUV39H2LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL19445764 0.79 KLKB1 (0.40) TSHR
SCHEMBL19445644 0.79 ERAP2 (0.44) SUV39H2AAK1LTA4HTERT
SCHEMBL19445719 0.75 KLKB1 (0.41) LMNAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL12885646 0.73 ALDH1A1 (0.57) LMNASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL17737202 0.72 HSD17B10 (0.52) SMN1; SMN2HSD17B10MEN1MAPTKMT2A
SCHEMBL23729020 0.71 LTA4H (0.49) LMNASMN1; SMN2HSD17B10MEN1MAPT
SCHEMBL13815084 0.71 SUV39H2 (0.51) SUV39H2LMNAMEN1KMT2AAAK1
SCHEMBL13319568 0.71 SUV39H2 (0.51) SUV39H2AAK1LTA4HTERT
SCHEMBL20215616 0.71 SUV39H2 (0.49) SUV39H2AAK1LTA4HTERT

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
Send feedback