SCHEMBL9302237

SCHEMBL9302237

N=C(N)Nc1ccccc1C(=O)Nc1ccccc1C(=N)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL10816174 0.89 KDM4E (0.42) F10GAALMNAPDCD1CD274
SCHEMBL9303445 0.88 NPC1 (0.54) F10NPC1GAATP53RAB9A
SCHEMBL9302810 0.87 NPC1 (0.49) F10NPC1GAATP53RAB9A
SCHEMBL9303221 0.87 NPC1 (0.46) F10NPC1TP53RAB9AHPGD
SCHEMBL9303104 0.87 NPC1 (0.49) F10NPC1GAATP53RAB9A
SCHEMBL11197899 0.83 KDM4E (0.55) F10GAALMNAPDCD1CD274
SCHEMBL9303615 0.83 PDCD1 (0.55) F10PDCD1CD274HPGDF2
SCHEMBL9304086 0.83 PLAU (0.69) F10F2PLGPLAUPLAT
SCHEMBL30139987 0.82 KDM4E (0.60) NPC1LMNATP53RAB9APDCD1
SCHEMBL45762 0.82 KDM4E (0.60) NPC1LMNATP53RAB9APDCD1

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