SCHEMBL14816640

SCHEMBL14816640

N#Cc1ccc2nc(-c3ccc(Br)cc3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.72
PKN2 Q16513 1/20 0.72
CHEK2 O96017 3/20 0.66
DGAT1 O75907 1/20 0.60
SOAT1 P35610 1/20 0.60
KCNH2 Q12809 1/20 0.60
RHEB Q15382 1/20 0.59
MMP2 P08253 4/20 0.58
MMP9 P14780 4/20 0.58
MMP8 P22894 4/20 0.58
MMP13 P45452 4/20 0.58
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
CSNK1A1 P48729 1/20 0.50

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
SCHEMBL20982510 0.92 PKN1 (0.82) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL3341423 0.85 PKN1 (0.72) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL18764054 0.85 CHEK2 (0.78) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL23563056 0.83 PKN1 (0.68) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL6061287 0.81 PKN1 (0.65) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL11334567 0.80 PKN1 (0.64) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL1662880 0.79 MEN1 (0.77) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL7973324 0.79 PKN1 (0.47) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL22219469 0.78 PIN1 (0.58) PKN1PKN2CHEK2DGAT1SOAT1
SCHEMBL20982791 0.78 PKN1 (0.64) PKN1PKN2CHEK2DGAT1SOAT1

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
WO-2013040527-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed