SCHEMBL8010202

SCHEMBL8010202

O=C(O)c1ccc(C(=O)Nc2ccccc2)cc1.O=S(=O)(Cl)Cl

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
PTPN1 P18031 2/20 0.65
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MITF O75030 1/20 0.59
HPGD P15428 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 2/20 0.58
SIRT1 Q96EB6 1/20 0.58
POLB P06746 1/20 0.58
PRMT1 Q99873 1/20 0.57
HTT P42858 1/20 0.56
HPSE Q9Y251 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
N-Phenylbenzamide SCHEMBL28741338 0.91 SIRT1 (0.69) PTPN1HDAC2HDAC8HDAC6MEN1
SCHEMBL3659389 0.91 FFAR1 (0.79) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL3659600 0.85 FFAR1 (0.89) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL1315526 0.84 PTPN1 (0.87) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL19857281 0.84 ALDH1A1 (0.66) PTPN1HDAC2HDAC8HDAC6ALDH1A1
Terephthalic Acid SCHEMBL28872662 0.84 PTPN1 (0.85) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL19501650 0.84 SIRT1 (0.82) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL14715847 0.82 PTPN1 (0.84) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL28419632 0.82 MITF (0.81) FFAR1PTPN1HDAC2HDAC8HDAC6
SCHEMBL900903 0.82 MITF (0.81) FFAR1PTPN1HDAC2HDAC8HDAC6

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-2000035904-A1 INHIBITORS OF β-LACTAMASES AND USES THEREFOR NORTHWESTERN UNIVERSITY (US) 2000-06-22 WO disclosed