SCHEMBL14880293

SCHEMBL14880293

O=C(NO)c1cccc(OC(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
GFER P55789 1/20 0.67
ADAM17 P78536 1/20 0.67
HDAC8 Q9BY41 3/20 0.63
KMT2A Q03164 4/20 0.62
NPSR1 Q6W5P4 3/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.62
RAB9A P51151 3/20 0.62
LMNA P02545 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC6 Q9UBN7 3/20 0.56
HDAC1 Q13547 1/20 0.56

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
SCHEMBL6580853 0.85 KMT2A (0.61) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL17662852 0.85 KMT2A (0.61) HDAC8KMT2ANPSR1MEN1MAPT
Hydrochloric Acid SCHEMBL20166696 0.83 KMT2A (0.59) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL19605409 0.83 HDAC8 (0.63) HDAC8KMT2AMEN1RAB9ALMNA
SCHEMBL14881985 0.81 HDAC8 (0.64) HDAC8HDAC6HDAC1SMPD1KDM4E
SCHEMBL17064043 0.81 RAB9A (0.50) ALOX15GFERADAM17HDAC8KMT2A
SCHEMBL13753982 0.81 POLB (0.58) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL30744738 0.80 MRGPRX4 (0.63) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL1965898 0.80 MRGPRX4 (0.63) KMT2ANPSR1MEN1MAPTRAB9A
SCHEMBL30744976 0.79 LMNA (0.56) KMT2ANPSR1MEN1MAPTRAB9A

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-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed