SCHEMBL9701789

SCHEMBL9701789

N#CN=C(N)Nc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.48
GAA P10253 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MEN1 O00255 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
CA1 P00915 1/20 0.39
MB P02144 1/20 0.39
CYP1A1 P04798 1/20 0.39

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
SCHEMBL11236640 0.83 GRIN2D (0.58) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL10112792 0.83 SIGMAR1 (0.58) KMT2ACA12CA2CA9CA1
SCHEMBL1983930 0.83 NPC1 (0.50) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL1983932 0.83 NPC1 (0.50) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL15094415 0.82 GRIN2D (0.55) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL11232538 0.82 GRIN2D (0.55) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL160935 0.79 MDM2 (0.44) GAAALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL15366862 0.79 MDM2 (0.44) GAAALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL11227305 0.79 CRHBP (0.51) GAAALDH1A1MAPTL3MBTL1SIGMAR1
SCHEMBL9846345 0.79 KDM4E (0.41) ALDH1A1MAPTKDM4EKMT2ACA12

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-5142010-A Antimicrobial, polymerizable diguanide compound; adhesives, antiseptics, hair conditioners, latex H. B. FULLER LICENSING & FINANCING INC. (US) 1992-08-25 US disclosed
EP-0460385-A2 Polymeric biocidal agents H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-12-11 EP disclosed
EP-0456093-A2 Biguanide derivatives and biocidal compositions containing them H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-11-13 EP disclosed