SCHEMBL6825035

SCHEMBL6825035

Cc1cccc(NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC2CCCC2)C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL6827885 0.99 NPC1 (0.45) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL6825596 0.92 NPC1 (0.43) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL6825276 0.90 MEN1 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6825501 0.90 EPHX2 (0.48) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL6827769 0.89 EPHX2 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6921629 0.88 NPC1 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6822405 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1MAPT
SCHEMBL6827533 0.87 RAB9A (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6822141 0.85 RAB9A (0.42) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL6825220 0.85 KMT2A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1

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