SCHEMBL7354907

SCHEMBL7354907

N=C(N)NN(C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BLM P54132 1/20 0.33
PLAU P00749 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7668451 0.83 NPSR1 (0.39) ALDH1A1PKMKMT2AMEN1NPSR1
SCHEMBL7665930 0.79 NPSR1 (0.41) ALDH1A1PKMKMT2AMEN1NPSR1
SCHEMBL6963070 0.76 MTNR1A (0.43) ALDH1A1PKMKMT2AMEN1NPSR1
SCHEMBL7662987 0.74 TDP1 (0.56) ALDH1A1PKMKMT2ATDP1L3MBTL1
SCHEMBL8587430 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1NPSR1TDP1
SCHEMBL9620610 0.73 NPSR1 (0.36) ALDH1A1KMT2AMEN1NPSR1BLM
SCHEMBL11760572 0.72 TDP1 (0.44) ALDH1A1F2F10F12F7
SCHEMBL6975370 0.71 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TDP1RECQL
SCHEMBL7362600 0.71 F2 (0.43) ALDH1A1F2F10F12F7
Formic Acid SCHEMBL28181410 0.71 ALDH1A1 (0.48) ALDH1A1F2F10F12F7

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-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed