SCHEMBL3112682

SCHEMBL3112682

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)/C1=C\c1[nH]cnc1C#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
CES2 O00748 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TACR1 P25103 1/20 0.32
CAPN1 P07384 1/20 0.32
DHFR P00374 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL3112688 1.00 GFER (0.38) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3123001 0.85 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3123005 0.85 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL12540135 0.82 GFER (0.35) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3112948 0.82 GFER (0.35) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3112950 0.82 GFER (0.35) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL2794403 0.78 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL2794405 0.78 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3119524 0.75 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6
SCHEMBL3119527 0.75 GFER (0.39) GFERCES2PLA2G10PLA2G5HDAC6

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-1971581-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-04-07 EP disclosed