SCHEMBL6825944

SCHEMBL6825944

CCc1ccccc1NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35

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
SCHEMBL6822302 0.89 KMT2A (0.40) KMT2AMEN1NPC1RAB9A
SCHEMBL6822311 0.89 NPC1 (0.40) POLBHDAC1HDAC6NPC1RAB9A
SCHEMBL6822127 0.89 KMT2A (0.44) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL6825617 0.88 NPC1 (0.42) HDAC1HDAC6NPC1RAB9AGAA
SCHEMBL6822411 0.88 TDP1 (0.45) KMT2AMEN1HDAC1HDAC6HDAC11
SCHEMBL6827642 0.87 NPC1 (0.38) POLBNPC1RAB9A
SCHEMBL7065876 0.86 KMT2A (0.44) KMT2APOLBMEN1GAATSHR
SCHEMBL6826087 0.86 KMT2A (0.39) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL6822283 0.86 TDP1 (0.43) KMT2AMEN1HDAC1HDAC6HDAC11
SCHEMBL7068778 0.85 KMT2A (0.46) KMT2APOLBMEN1GAATSHR

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