SCHEMBL9303113

SCHEMBL9303113

N=C(N)Nc1ccc(C(=O)Nc2ccc(C(=N)N)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.51
▸ CD40LG P29965 2/20 0.51
▸ F2 P00734 3/20 0.46
▸ PLG P00747 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ PLAT P00750 2/20 0.46
▸ F10 P00742 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.44
▸ KLK1 P06870 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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 0.92 NPC1 (0.48) CD40CD40LGF2PLGPLAU
SCHEMBL9302845 0.86 PTGES (0.52) F2PLGPLAUPLATNPC1
SCHEMBL9303615 0.83 PDCD1 (0.55) F2PLGPLAUPLATF10
SCHEMBL9303104 0.81 NPC1 (0.49) F10NPC1RAB9ACYP1A2CYP3A4
SCHEMBL9302652 0.81 PLAU (0.48) F2PLGPLAUPLATF10
SCHEMBL9303908 0.81 PLG (0.48) F2PLGPLAUPLATF10
SCHEMBL9303308 0.80 PTGES (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL9302612 0.79 PLAU (0.55) F2PLGPLAUPLATF10
SCHEMBL9303759 0.77 PLAU (0.50) F2PLGPLAUPLATF10
SCHEMBL9302624 0.77 PLAU (0.53) F2PLGPLAUPLATF10

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
Send feedback