SCHEMBL28028783

SCHEMBL28028783

NC(=NO)c1ccc(-c2nc3ccc(C(N)=NO)cc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.60
PLAU P00749 1/20 0.59
PRSS1 P07477 1/20 0.59
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
CYP3A4 P08684 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KMT2A Q03164 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NR4A2 P43354 1/20 0.55

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
SCHEMBL17393254 0.85 KDM4E (0.62) CHEK2PKN1PKN2HDAC6KMT2A
SCHEMBL17393252 0.85 KDM4E (0.62) CHEK2PKN1PKN2HDAC6KMT2A
SCHEMBL13167140 0.84 HDAC6 (0.57) CHEK2CYP3A4HDAC1HDAC2HDAC6
SCHEMBL17393379 0.82 CHEK2 (0.56) CHEK2CYP3A4MEN1KMT2A
SCHEMBL1842124 0.82 CHEK2 (0.61) CHEK2MEN1KMT2A
SCHEMBL17393611 0.82 CHEK2 (0.56) CHEK2CYP3A4MEN1KMT2A
SCHEMBL10029167 0.82 CHEK2 (0.60) CHEK2PLAUPRSS1NR4A2
SCHEMBL10029168 0.82 CHEK2 (0.61) CHEK2MEN1KMT2A
SCHEMBL1841112 0.82 CHEK2 (0.60) CHEK2PLAUPRSS1NR4A2
SCHEMBL17393277 0.82 CHEK2 (0.57) CHEK2PLAUPRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104962543-B A kind of oriented immobilization method of Bacillus subtilis neutral protease 上海理工大学 2017-11-03 CN disclosed
CN-104962543-A Oriented immobilization method for bacillus subtilis neutral protease UNIV SHANGHAI SCIENCE & TECH 2015-10-07 CN disclosed