SCHEMBL8424475

SCHEMBL8424475

N#Cc1cc(CN2CC[C@@H](C(NS(=O)(=O)c3cc(Cl)c(Cl)s3)C(=O)NCCc3ccccc3)C2=O)cs1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL8424049 0.88 S100A9 (0.33) F2F10PLGMMP13
SCHEMBL8423755 0.81 MMP13 (0.34) F2F10MMP13
SCHEMBL8428253 0.81 F10 (0.49) F2F10PLG
SCHEMBL2330020 0.80 MAPT (0.36) GAAALDH1A1KMT2ATDP1F2
SCHEMBL8425396 0.76 FNTA (0.43) F2F10PLG
SCHEMBL2329019 0.75 F10 (0.44) F2F10PLG
SCHEMBL8425505 0.74 F10 (0.45) TP53POLBF2F10MMP12
SCHEMBL7475980 0.74 F10 (0.35) GAAALDH1A1TDP1F2F10
SCHEMBL8424713 0.73 F10 (0.50) F2F10PLG
SCHEMBL8423918 0.73 BDKRB1 (0.45) TP53POLBF2F10PLG

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
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed