SCHEMBL7876112

SCHEMBL7876112

O=C(O)c1ccc(-c2ccc(C=C3Sc4ccccc4C3=O)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.72
PTPN7 P35236 2/20 0.72
DUSP3 P51452 2/20 0.72
PTPN1 P18031 1/20 0.72
PTPN22 Q9Y2R2 1/20 0.72
INSR P06213 1/20 0.58
IGF1R P08069 1/20 0.58
CDK2 P24941 1/20 0.57
PSMB8 P28062 7/20 0.55
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
STAT3 P40763 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ENPP2 Q13822 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
DNMT1 P26358 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7876111 1.00 PTPN5 (0.72) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL26168538 1.00 PTPN5 (0.72) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL31358863 0.90 PTPN5 (0.70) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL31358813 0.90 PTPN5 (0.64) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL25246954 0.89 PTPN5 (0.68) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL31358848 0.89 PTPN5 (0.68) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL6721181 0.88 PTPN5 (0.71) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL25218896 0.87 PTPN5 (0.69) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL31358719 0.84 PTPN5 (0.63) PTPN5PTPN7DUSP3PTPN1PTPN22
SCHEMBL31358810 0.84 PTPN5 (0.63) PTPN5PTPN7DUSP3PTPN1PTPN22

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
US-6316492-B1 THERAPY OF INFECTION ONE VIRUS OF THE FLAVIVIRIDAE FAMILY AND DISEASE ASSOCIATED WITH SAID INFECTION BY ADMINISTERING ANTIVIRAL COMPOUND VIROPHARMA INCORPORATED 2001-11-13 US disclosed