SCHEMBL6809570

SCHEMBL6809570

Cc1nc2ccccc2n1CCc1ccc(C[C]=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TNF P01375 1/20 0.52
GALR3 O60755 3/20 0.52
NR2F2 P24468 3/20 0.52
RAB9A P51151 2/20 0.52
GFER P55789 1/20 0.51
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL540958 0.84 TNF (0.73) MEN1KMT2ATNFGALR3NR2F2
SCHEMBL6806024 0.83 LMNA (0.51) MEN1KMT2ALMNAKDM4EPOLB
SCHEMBL3397633 0.79 LMNA (0.61) MEN1KMT2ARAB9ALMNATP53
SCHEMBL6446137 0.78 LMNA (0.69) TNFGALR3NR2F2RAB9APKM
SCHEMBL27875060 0.77 TNF (0.58) TNFGALR3NR2F2RAB9APKM
SCHEMBL760728 0.76 PKM (0.60) TNFGALR3NR2F2RAB9APKM
SCHEMBL2330274 0.74 LMNA (0.69) TNFGALR3NR2F2RAB9APKM
SCHEMBL229041 0.74 POLB (0.67) MEN1KMT2ATNFGALR3NR2F2
SCHEMBL6803832 0.73 HTT (0.70) KMT2ATNFPKMLMNAHTT
SCHEMBL6805526 0.73 MAPT (0.70) RAB9AKDM4EMAPTNPC1

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
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed