SCHEMBL6825482

SCHEMBL6825482

Cc1ccc(NC(=O)N[C@H](C(=O)N(CCC(C)C)CC(=O)NO)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 2/20 0.38
NCOR2 Q9Y618 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
SCHEMBL6822072 0.88 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HDAC3HDAC1
SCHEMBL6825284 0.86 CA2 (0.43) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6825265 0.84 EPHX1 (0.39) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6923321 0.83 MAPK1 (0.47) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6825880 0.82 CCKBR (0.49) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6822345 0.79 TAS1R3 (0.41) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6822426 0.79 MEN1 (0.40) MEN1KMT2APOLBLMNAMAPT
SCHEMBL6822423 0.79 ANPEP (0.52) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL6825491 0.78 ITGB1 (0.40) MEN1KMT2APOLBSMN1; SMN2ITGB1
SCHEMBL6825506 0.77 KMT2A (0.56) MEN1KMT2APOLBLMNASMN1; SMN2

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