SCHEMBL6827601

SCHEMBL6827601

CC(C)[C@H](NC(=O)Nc1cccc2cccnc12)C(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
XIAP P98170 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 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
SCHEMBL6825343 0.92 HDAC1 (0.47) HDAC1TDP1POLBUBE2MDCUN1D1
SCHEMBL6825780 0.90 HDAC1 (0.45) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6827728 0.90 HDAC1 (0.47) HDAC1TDP1POLBUBE2MDCUN1D1
SCHEMBL6825378 0.86 HDAC1 (0.49) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825677 0.83 TAS1R3 (0.48) POLBNPSR1ALDH1A1
SCHEMBL6923084 0.83 HDAC1 (0.46) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6827604 0.82 HDAC1 (0.46) HDAC1TDP1POLBUBE2MDCUN1D1
SCHEMBL6825085 0.81 HDAC1 (0.46) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6919406 0.79 HDAC1 (0.38) HDAC1TDP1POLBUBE2MDCUN1D1
SCHEMBL6825164 0.79 HDAC6 (0.49) HDAC1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed