SCHEMBL7362600

SCHEMBL7362600

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
F12 P00748 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 2/20 0.41
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
C1S P09871 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PLAU P00749 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3258421 0.81 NPSR1 (0.43) BLMRECQLKMT2AALDH1A1TDP1
SCHEMBL10416410 0.79 ALDH1A1 (0.54) BLMRECQLKMT2AALDH1A1TDP1
SCHEMBL3664782 0.76 NPSR1 (0.46) BLMRECQLKMT2AALDH1A1TDP1
Formic Acid SCHEMBL28181410 0.75 ALDH1A1 (0.48) F2F10F12F7F3
SCHEMBL14855512 0.75 TDP1 (0.47) KMT2AALDH1A1TDP1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL7127166 0.74 NPSR1 (0.44) BLMRECQLKMT2AALDH1A1TDP1
SCHEMBL3248552 0.72 ALDH1A1 (0.43) BLMRECQLKMT2AALDH1A1TDP1
SCHEMBL11686030 0.72 NPSR1 (0.43) KMT2AALDH1A1TDP1POLBCYP3A4
SCHEMBL28846604 0.72 CES2 (0.48) KMT2AALDH1A1TDP1MAPTTSHR
SCHEMBL12015726 0.71 NPSR1 (0.37) BLMRECQLKMT2AALDH1A1TDP1

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