SCHEMBL7303291

SCHEMBL7303291

O=C(NO)c1ccc(-c2c[nH]c(=O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.46
HDAC6 Q9UBN7 10/20 0.46
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CAMK2D Q13557 1/20 0.42
KDM1A O60341 3/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5088831 0.83 RAB9A (0.49)
SCHEMBL7297915 0.81 KDM4E (0.52)
SCHEMBL7398136 0.80 POLB (0.55) PTPN1PTPN6PTPN11
SCHEMBL7391714 0.79 PTPN1 (0.67) PTPN1PTPN6PTPN11
Bromide SCHEMBL10730898 0.78 PTPN1 (0.65) PTPN1PTPN6PTPN11
SCHEMBL7396608 0.78 GAA (0.56) PTPN1PTPN6PTPN11
SCHEMBL7366117 0.76 P4HTM (0.53) PTPN1PTPN6PTPN11
SCHEMBL2778375 0.75 XDH (0.52)
SCHEMBL7398696 0.75 DYRK1B (0.47) PTPN1PTPN6PTPN11
SCHEMBL7278792 0.74 METAP2 (0.43)

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-0146282-A2 Pyrazinone compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-26 EP claimed
EP-0146282-A2 Pyrazinone compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-26 EP disclosed