SCHEMBL7398136

SCHEMBL7398136

Nc1ccc(C(=O)Nc2ccc(-c3c[nH]c(=O)cn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPN1 P18031 2/20 0.52
PTPN6 P29350 1/20 0.52
PTPN11 Q06124 1/20 0.52
PTPN2 P17706 1/20 0.50
MAPT P10636 1/20 0.48
PTGS1 P23219 2/20 0.47
PRMT1 Q99873 2/20 0.46
SETD7 Q8WTS6 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.46

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 0.87 PTPN1 (0.67) MEN1LMNAPKMKMT2APTPN1
Bromide SCHEMBL10730898 0.86 PTPN1 (0.65) MEN1LMNAPKMKMT2APTPN1
SCHEMBL7396608 0.86 GAA (0.56) POLBLMNAKMT2APTPN1PTPN6
SCHEMBL7370129 0.86 PTGS1 (0.50) PTPN1PTPN6PTPN11PTPN2MAPT
SCHEMBL7366117 0.83 P4HTM (0.53) POLBMEN1LMNAKMT2APTPN1
SCHEMBL7398132 0.83 VCP (0.40) POLBLMNAMAPTNPC1RAB9A
SCHEMBL7278792 0.82 METAP2 (0.43) MEN1KMT2ATDP1MAPTNPC1
SCHEMBL7398696 0.81 DYRK1B (0.47) PTPN1PTPN6PTPN11PTPN2MAPT
Bromide SCHEMBL7301912 0.81 METAP2 (0.42) MEN1KMT2ATDP1MAPTNPC1
Hydrochloric Acid SCHEMBL7349133 0.81 METAP2 (0.42) MEN1PKMKMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP claimed
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