SCHEMBL7400611

SCHEMBL7400611

CNC(=O)C(=O)C(CCCCCNC(=O)Nc1ccccc1OC)N=C=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL7397880 0.84 EPHX1 (0.52) KMT2ASMN1; SMN2MEN1HDAC1HDAC6
SCHEMBL7393729 0.83 KMT2A (0.53) KMT2ASMN1; SMN2MEN1MAPTPKM
SCHEMBL7399194 0.82 CASR (0.47) SMN1; SMN2MAPTPKM
SCHEMBL7398740 0.79 SLC6A3 (0.50) SMN1; SMN2HDAC1HDAC6FOLH1
SCHEMBL7400931 0.78 SLC6A3 (0.52) FOLH1
SCHEMBL7371657 0.77 HDAC1 (0.51) KMT2APOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL7400613 0.77 HDAC1 (0.46) KMT2APOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL7398715 0.75 MEN1 (0.43) KMT2ASMN1; SMN2MEN1MAPTHDAC1
SCHEMBL4212390 0.74 EPHX1 (0.61) KMT2APOLBSMN1; SMN2L3MBTL1MEN1
SCHEMBL22170203 0.71 POLB (0.67) KMT2APOLBSMN1; SMN2L3MBTL1HTR3E

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
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed