SCHEMBL4035745

SCHEMBL4035745

CCCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ncccc4c3)C(C(=O)NCc3ccccc3)C2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
FKBP1A P62942 2/20 0.40
MMP13 P45452 1/20 0.40
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM1 P11229 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 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
SCHEMBL4037876 0.91 ALDH1A1 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4034716 0.89 P2RX7 (0.42)
SCHEMBL1386085 0.87 MAPK1 (0.51) GAAALDH1A1MAPK1
SCHEMBL4033612 0.81 RAB9A (0.38) ALDH1A1CHRM1
SCHEMBL4038551 0.79 MMP1 (0.45) MMP1MMP3MMP7MMP9FKBP1A
SCHEMBL1381941 0.78 PKM (0.54) GAAALDH1A1USP2MAPK1
SCHEMBL4034713 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1
SCHEMBL4035389 0.76 MMP1 (0.55) MMP1MMP3MMP7MMP9FKBP1A
SCHEMBL7090151 0.73 EPHX2 (0.41) KDM4EALDH1A1
SCHEMBL4033852 0.72 TSHR (0.46) MMP1MMP3MMP7MMP9FKBP1A

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