SCHEMBL6234852

SCHEMBL6234852

CCC(=O)NCCCCSC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CASP2 P42575 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.39

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
SCHEMBL6239136 0.94 MEN1 (0.61) MEN1KMT2ACASP2HDAC3HDAC4
SCHEMBL6238764 0.86 KMT2A (0.54) MEN1KMT2ARECQLALDH1A1
SCHEMBL6233996 0.85 CASP2 (0.61) MEN1KMT2ACASP2HDAC3HDAC4
SCHEMBL17229157 0.81 MEN1 (1.00) MEN1KMT2ACASP2RECQLKDM4E
SCHEMBL6231420 0.79 CASP2 (0.58) MEN1KMT2ACASP2HDAC3HDAC4
SCHEMBL9259257 0.79 MEN1 (0.94) MEN1KMT2ACASP2RECQLKDM4E
SCHEMBL11758762 0.79 MEN1 (0.94) MEN1KMT2ACASP2RECQLKDM4E
SCHEMBL21765846 0.79 MEN1 (0.94) MEN1KMT2ACASP2RECQLKDM4E
SCHEMBL27383467 0.77 MEN1 (0.81) MEN1KMT2ACASP2RECQLKDM4E
SCHEMBL18105269 0.77 MEN1 (0.65) MEN1KMT2ACASP2RECQLNAAA

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
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO disclosed