SCHEMBL27620945

SCHEMBL27620945

CC(C)(C)OC(=O)N1CCNCC1c1ncccc1NC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 1/20 0.39
HDAC1 Q13547 1/20 0.39
PARP1 P09874 1/20 0.38
CTSL P07711 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RORC P51449 1/20 0.37
HTR2C P28335 1/20 0.37
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
SCHEMBL27620947 0.80 PRMT5 (0.40) RAB9AMEN1KMT2AABCB1HDAC1
SCHEMBL30396299 0.75 STS (0.38) MEN1KMT2APARP1L3MBTL1
SCHEMBL2088315 0.74 ACHE (0.52) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL9259424 0.74 KLK7 (0.48) MEN1KMT2AABCB1PARP1CTSL
SCHEMBL30968455 0.74 CA1 (0.42) MEN1KMT2AABCB1PARP1CTSL
SCHEMBL27868891 0.73 GPR119 (0.45) MEN1KMT2APARP1L3MBTL1
SCHEMBL29773951 0.73 GPR119 (0.45) MEN1KMT2APARP1L3MBTL1
SCHEMBL6500495 0.73 MGLL (0.41) NPC1RAB9APDE3BPDE3ARORC
SCHEMBL30968489 0.73 CA1 (0.45) MEN1KMT2ACTSLL3MBTL1RORC
SCHEMBL28352935 0.73 PARP1 (0.46) MEN1KMT2APARP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101381365-B Dual action antibiotics MORPHOCHEM AG KOMB CHEMIE 2011-07-06 CN disclosed
CN-101381365-A Dual action antibiotics MORPHOCHEM AG KOMB CHEMIE (DE) 2009-03-11 CN disclosed
CN-1630655-A Dual action antibiotics MORPHOCHEM AG FUER KOM (DE) 2005-06-22 CN disclosed