SCHEMBL7989744

SCHEMBL7989744

C=CCCCN(Cc1cccnc1)C(=O)C(N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SLC1A5 Q15758 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL7989742 1.00 RECQL (0.45) RECQLLMNAALDH1A1KMT2AMEN1
SCHEMBL7986075 0.84 ALDH1A1 (0.46) RECQLLMNAALDH1A1KMT2AHDAC3
SCHEMBL7986078 0.84 ALDH1A1 (0.46) RECQLLMNAALDH1A1KMT2AHDAC3
SCHEMBL7993715 0.77 MMP2 (0.41) RECQLALDH1A1KMT2A
SCHEMBL7989631 0.76 ALDH1A1 (0.45) RECQLLMNAALDH1A1KMT2AHDAC3
SCHEMBL7986080 0.76 ALDH1A1 (0.45) RECQLLMNAALDH1A1KMT2AHDAC3
SCHEMBL15045194 0.74 SMN1; SMN2 (0.50) RECQLLMNAALDH1A1KMT2AMEN1
SCHEMBL13947717 0.72 CHRNA7 (0.54) LMNAKMT2ACHRNB2CHRNA4RIPK1
SCHEMBL13103642 0.71 RECQL (0.53) RECQLLMNAALDH1A1KMT2ACHRNB2
SCHEMBL7993721 0.70 ALDH1A1 (0.40) RECQLLMNAALDH1A1KMT2AHDAC3

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed