SCHEMBL8226281

SCHEMBL8226281

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccncc4)n4ncc(F)c4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP3 P08254 1/20 0.42
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL8225565 0.94 TP53 (0.43) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL10163453 0.93 L3MBTL1 (0.45) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL10163488 0.93 MMP13 (0.44) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL8221172 0.92 MMP13 (0.42) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL8226605 0.92 MMP13 (0.43) MMP13ADAMTS4MMP3LMNAKMT2A
SCHEMBL8229798 0.92 MMP13 (0.41) MMP13ADAMTS4MMP3LMNAKMT2A
SCHEMBL8221168 0.91 MMP13 (0.43) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL10163495 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3LMNAKMT2A
SCHEMBL8226363 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL14450006 0.91 MMP13 (0.44) MMP13ADAMTS4MMP3KMT2AMEN1

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed