SCHEMBL10694749

SCHEMBL10694749

O=C1NC(=O)C(c2ccccc2)=C1I

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.56
GSK3B P49841 12/20 0.53
KDM4E B2RXH2 1/20 0.41
PLA2G10 O15496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL114611 0.84 PTGS2 (0.67) PTGS2GSK3B
SCHEMBL9474080 0.81 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL5060968 0.79 PTGS2 (0.40) PTGS2GSK3BALDH1A1HSD17B10
SCHEMBL187764 0.78 PTGS2 (0.61) PTGS2GSK3B
SCHEMBL18049412 0.78 PTGS2 (0.59) PTGS2GSK3B
SCHEMBL11270084 0.75 PTGS2 (0.61) PTGS2GSK3B
SCHEMBL29042770 0.75 KIF11 (0.42) PTGS2
SCHEMBL94149 0.74 GSK3B (0.58) PTGS2GSK3B
SCHEMBL22144497 0.74 GSK3B (0.53) PTGS2GSK3B
SCHEMBL3164032 0.74 PTGS2 (0.55) PTGS2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948177-A1 METHODS FOR OPTIMIZING DOMAIN STABILITY OF BINDING PROTEINS AbbVie Inc. (US) 2015-12-02 EP disclosed
WO-2014116596-A1 METHODS FOR OPTIMIZING DOMAIN STABILITY OF BINDING PROTEINS ABBVIE, INC. (US) 2014-07-31 WO disclosed
US-4735792-A PROTEIN BINDERS; MEDICAL DIAGNOSIS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1988-04-05 US disclosed