SCHEMBL16720523

SCHEMBL16720523

O=S(=O)(Nc1cccc(O)c1)n1cccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.50
UQCRB P14927 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HSD17B1 P14061 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.41
HSD11B1 P28845 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FKBP1A P62942 1/20 0.38

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
SCHEMBL16720320 0.79 ALDH1A1 (0.47) ALDH1A1LMNAHTTPKMKMT2A
SCHEMBL16720108 0.77 CA2 (0.50) ALDH1A1HTTPKMKMT2AMEN1
SCHEMBL27182682 0.74 HSD17B2 (0.56) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL9307026 0.74 HSD17B2 (0.67) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL27182980 0.73 HSD17B2 (0.58) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL11126460 0.71 HSD17B2 (0.55) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL16720181 0.71 HSD17B2 (0.71) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL16720704 0.71 HSD17B2 (0.46) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL20963122 0.70 HSD17B2 (0.54) HSD17B2UQCRBALDH1A1KDM4ELMNA
SCHEMBL19997242 0.70 UQCRB (0.59) HSD17B2UQCRBALDH1A1KDM4ELMNA

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed