SCHEMBL3113774

SCHEMBL3113774

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)/C1=C\c1cccnc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
MMP2 P08253 2/20 0.36
CES2 O00748 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CAPN1 P07384 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MDM2 Q00987 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL3113775 1.00 GFER (0.37) GFERTRIM24TRIM33HDAC6MMP2
SCHEMBL2793358 0.85 GFER (0.41) GFERHDAC6MMP2CES2KMT2A
SCHEMBL2793360 0.85 GFER (0.41) GFERHDAC6MMP2CES2KMT2A
SCHEMBL3112950 0.84 GFER (0.35) GFERHDAC6CES2KMT2AALDH1A1
SCHEMBL12540135 0.84 GFER (0.35) GFERHDAC6CES2KMT2AALDH1A1
SCHEMBL3112948 0.84 GFER (0.35) GFERHDAC6CES2KMT2AALDH1A1
SCHEMBL3113702 0.81 GFER (0.41) GFERHDAC6MMP2CES2KMT2A
SCHEMBL4234097 0.81 GFER (0.41) GFERHDAC6MMP2CES2KMT2A
SCHEMBL3123001 0.80 GFER (0.39) GFERHDAC6MMP2CES2KMT2A
SCHEMBL3123005 0.80 GFER (0.39) GFERHDAC6MMP2CES2KMT2A

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