SCHEMBL18928136

SCHEMBL18928136

O=[N+]([O-])c1ccccc1SOO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GPR35 Q9HC97 1/20 0.45
PKM P14618 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9321346 0.84 PDE7A (0.55) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL24063592 0.81 ALDH1A1 (0.53) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11499701 0.81 PDE7A (0.56) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3917921 0.78 PDE7A (0.49) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL2458682 0.78 PDE7A (0.56) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL6860656 0.78 PDE7A (0.56) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL6870788 0.78 PDE7A (0.56) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL224666 0.77 PDE7A (0.60) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL875772 0.77 PDE7A (0.78) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL31272173 0.77 PDE7A (0.78) PDE7ASMN1; SMN2MAPTALDH1A1MEN1

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-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed