SCHEMBL9303615

SCHEMBL9303615

N=C(N)Nc1ccc(C(=O)Nc2ccccc2C(=N)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
SIRT2 Q8IXJ6 2/20 0.55
F10 P00742 3/20 0.54
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54
PLAT P00750 1/20 0.54
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
DHODH Q02127 1/20 0.50
POLB P06746 2/20 0.49
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CA2 P00918 4/20 0.48
HPGD P15428 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL9303405 0.86 NPC1 (0.48) PDCD1CD274SIRT2F10F2
SCHEMBL9303131 0.85 SIRT2 (0.46) PDCD1CD274SIRT2F10F2
SCHEMBL9304048 0.85 SIRT2 (0.55) SIRT2F2PLGPLAUPLAT
SCHEMBL9303113 0.83 CD40 (0.51) SIRT2F10F2PLGPLAU
SCHEMBL9302612 0.83 PLAU (0.55) SIRT2F10F2PLGPLAU
SCHEMBL9302237 0.83 F10 (0.49) PDCD1CD274F10F2PLG
SCHEMBL9304086 0.82 PLAU (0.69) SIRT2F10F2PLGPLAU
SCHEMBL4063687 0.81 PTPN1 (0.66) SIRT2F2PLGPLAUPLAT
SCHEMBL24891830 0.81 KMT2A (0.64) F2PLGPLAUPOLBKDM4E
SCHEMBL9303338 0.79 F2 (0.67) F10F2PLGPLAUPLAT

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-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed