SCHEMBL6825085

SCHEMBL6825085

CC(C)(C)[C@H](NC(=O)Nc1cccc2cccnc12)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6923084 0.98 HDAC1 (0.46) HDAC1TDP1POLBCNR1CNR2
SCHEMBL6825780 0.91 HDAC1 (0.45) HDAC1TDP1POLBCNR1CNR2
SCHEMBL6827728 0.89 HDAC1 (0.47) HDAC1TDP1POLBCNR1CNR2
SCHEMBL6825231 0.88 HDAC6 (0.49) HDAC1ALDH1A1TP53MEN1KMT2A
SCHEMBL6922062 0.88 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6825343 0.87 HDAC1 (0.47) HDAC1TDP1POLBKDRTP53
SCHEMBL6922133 0.86 P2RX7 (0.45) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6824912 0.85 KDM4E (0.35) HDAC1
SCHEMBL6825337 0.84 HDAC1 (0.48) HDAC1TDP1POLBKDRMEN1
SCHEMBL6825435 0.83 NPC1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNA

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