SCHEMBL20490609

SCHEMBL20490609

O=C(NO)C(c1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(NO)C(c1ccccc1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
KMT2A Q03164 3/20 0.65
USP2 O75604 2/20 0.65
ESR1 P03372 1/20 0.65
NR4A1 P22736 1/20 0.65
PTK2B Q14289 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52

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
SCHEMBL2840798 0.94 MAPT (0.72) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL20490210 0.93 MAPT (0.70) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL2843817 0.93 MAPT (0.70) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL4531998 0.92 MAPT (0.68) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL2843895 0.88 HDAC3 (0.55) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL2837573 0.87 HDAC4 (0.66) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL2842461 0.84 HDAC4 (0.81) KMT2AHDAC6HDAC4HDAC3HDAC1
SCHEMBL2841246 0.83 HDAC8 (0.60) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL20490397 0.83 MAPT (0.57) MAPTKMT2AUSP2ESR1NR4A1
SCHEMBL20490247 0.83 CTSK (0.56) MAPTKMT2AUSP2ESR1NR4A1

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
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed