SCHEMBL4035389

SCHEMBL4035389

O=C(NCc1ccccc1)C1CN(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.55
MMP3 P08254 6/20 0.55
MMP7 P09237 5/20 0.55
MMP9 P14780 5/20 0.55
MMP13 P45452 4/20 0.55
NAMPT P43490 1/20 0.45
FKBP1A P62942 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CHRM1 P11229 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4033086 0.88 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4032608 0.87 MMP1 (0.55) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4035342 0.84 MAPK1 (0.59) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4038551 0.82 MMP1 (0.45) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4033852 0.80 TSHR (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4035481 0.80 TSHR (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL6230533 0.79 MAPK1 (0.53) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4036852 0.78 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4037487 0.77 MAPT (0.49) NAMPTLMNAKDM4EPKMALDH1A1
SCHEMBL4033832 0.77 MMP1 (0.49) MMP1MMP3MMP7MMP9MMP13

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