SCHEMBL27487594

SCHEMBL27487594

COc1ccc(CN2C(=O)C(C)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
CMA1 P23946 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
EP300 Q09472 1/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
SMO Q99835 2/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CASP3 P42574 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL19923759 0.89 SMO (0.60) HDAC6CMA1MEN1KMT2AEP300
SCHEMBL27488298 0.86 CMA1 (0.59) HDAC6CMA1MEN1KMT2AGSK3A
SCHEMBL13793060 0.80 HDAC6 (0.60) HDAC6CMA1MEN1KMT2AEP300
SCHEMBL25409389 0.77 CMA1 (0.58) HDAC6CMA1MEN1KMT2AMMP1
SCHEMBL31528312 0.76 KMT2A (0.56) HDAC6CMA1MEN1KMT2ASIGMAR1
SCHEMBL13793149 0.74 HDAC6 (0.52) HDAC6CMA1MEN1KMT2AEP300
SCHEMBL22226690 0.74 MMP1 (0.52) HDAC6CMA1MEN1KMT2AMMP1
SCHEMBL15131567 0.74 EP300 (0.60) HDAC6CMA1MEN1KMT2AEP300
SCHEMBL17360678 0.73 EHMT2 (0.61) CMA1MEN1KMT2AMMP1MMP3
SCHEMBL14600666 0.72 MEN1 (0.54) HDAC6CMA1MEN1KMT2AEP300

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
CN-1178906-C N-hydroxyformamide derivatives as inhibitors of matrix metalloproteinases ���Ͽع����޹�˾ 2004-12-08 CN disclosed
CN-1261876-A N-hydroxyformamide derivatives as inhibitors of matrix metalloproteinases ABBOTT LAB (US) 2000-08-02 CN disclosed