SCHEMBL4035748

SCHEMBL4035748

CCN1CCCC1CC1CN(c2ccc(OCc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.NC(=O)NC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.40
ADAM17 P78536 7/20 0.40
MMP13 P45452 3/20 0.39
MMP9 P14780 4/20 0.38
MMP3 P08254 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.36
ADAMTS4 O75173 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SPHK1 Q9NYA1 3/20 0.35
SPHK2 Q9NRA0 2/20 0.35
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP12 P39900 2/20 0.35
MMP14 P50281 2/20 0.35
MMP15 P51511 2/20 0.35
MMP16 P51512 2/20 0.35
MMP26 Q9NRE1 2/20 0.35
CHRNB2 P17787 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
SCHEMBL4033743 0.86 RAB9A (0.45) MMP1MMP13MMP9MMP3KDM4E
SCHEMBL4035190 0.82 ADAMTS4 (0.42) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL14499810 0.71 MMP1 (0.48) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL14499807 0.71 MMP1 (0.48) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL14499808 0.71 MMP1 (0.48) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL14499809 0.71 MMP1 (0.48) MMP1ADAM17MMP13MMP9MMP3
SCHEMBL4038496 0.69 PSEN1 (0.39) MMP1MMP13MMP9MMP3KMT2A
SCHEMBL4035688 0.69 CA12 (0.39) MMP9MMP2
SCHEMBL4038524 0.67 MMP2 (0.34) MMP1MMP9MMP3MMP2MMP12
SCHEMBL4033428 0.63 MMP1 (0.59) MMP1ADAM17MMP13MMP9MMP3

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed