SCHEMBL21177892

SCHEMBL21177892

O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.77
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
PDE7A Q13946 1/20 0.54
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MLNR O43193 1/20 0.45
MMP1 P03956 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL21177820 0.89 HSPB1 (0.63) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL31287841 0.89 HSPB1 (0.82) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL31395357 0.86 HSPB1 (0.71) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL21904820 0.86 HSPB1 (0.71) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL16023861 0.86 HSPB1 (0.71) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL11577460 0.84 HSPB1 (0.60) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL11577394 0.83 HSPB1 (0.68) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL23292646 0.82 HSPB1 (0.66) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL11087204 0.82 HSPB1 (0.66) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL4430952 0.82 HSPB1 (0.66) HSPB1MEN1KMT2AMAPTALDH1A1

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed