SCHEMBL17845939

SCHEMBL17845939

CC(C)(O)C(C)(C)OB(O)c1cccnc1NS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 1/20 0.32
CKS1B P61024 2/20 0.32
SKP2 Q13309 2/20 0.32
FPR2 P25090 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL9893573 0.79 KEAP1 (0.39) HTTSMN1; SMN2TSHRHPGD
SCHEMBL456250 0.78 P2RX7 (0.31)
SCHEMBL18705823 0.74 L3MBTL1 (0.46) ALOX15HTTPKM
SCHEMBL15637783 0.74 POLB (0.36) SMN1; SMN2LMNA
SCHEMBL2704513 0.74 TRIM24 (0.34)
SCHEMBL1694862 0.74 NOS3 (0.37) SMN1; SMN2
SCHEMBL14334896 0.73 SLC13A5 (0.35)
SCHEMBL15533151 0.72 SSTR4 (0.32)
SCHEMBL2369300 0.72 L3MBTL1 (0.36) HTTSMN1; SMN2TSHRLMNA
SCHEMBL15533093 0.72 CHRM2 (0.31)

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
EP-3233085-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K The Regents of The University of Michigan (US) 2017-10-25 EP disclosed
WO-2016100347-A2 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-23 WO disclosed