SCHEMBL7396608

SCHEMBL7396608

O=C(Nc1ccc(-c2c[nH]c(=O)cn2)cc1)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PTPN1 P18031 2/20 0.51
PTPN2 P17706 1/20 0.51
MAPK1 P28482 3/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 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
SCHEMBL7391714 0.88 PTPN1 (0.67) PTPN1PTPN2PTPN6PTPN11KDM4E
Bromide SCHEMBL10730898 0.87 PTPN1 (0.65) PTPN1PTPN2PTPN6PTPN11KDM4E
SCHEMBL7398136 0.86 POLB (0.55) PTPN1PTPN2PTPN6PTPN11POLB
SCHEMBL7366117 0.82 P4HTM (0.53) PTPN1PTPN2MAPK1PTPN6PTPN11
SCHEMBL10338395 0.81 KCNH2 (0.43) GAAMAPK1HTTPOLBSMN1; SMN2
SCHEMBL7370129 0.80 PTGS1 (0.50) PTPN1PTPN2PTPN6PTPN11SMN1; SMN2
SCHEMBL2778375 0.80 XDH (0.52) GAAMAPK1KDM4EHTTL3MBTL1
SCHEMBL7398696 0.80 DYRK1B (0.47) GAAPTPN1PTPN2PTPN6PTPN11
SCHEMBL10553848 0.78 ALDH1A1 (0.52) GAAKDM4EHTTL3MBTL1POLB
SCHEMBL7303291 0.78 HDAC1 (0.46) PTPN1PTPN6PTPN11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed