SCHEMBL4679918

SCHEMBL4679918

N#CNC(=N)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
IDO1 P14902 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
XBP1 P17861 1/20 0.48
ERBB2 P04626 1/20 0.47
KDR P35968 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
SCHEMBL2288364 0.85 MAPT (0.64) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL8983504 0.82 MAPT (0.69) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6986158 0.81 MAPT (0.68) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6986153 0.81 MAPT (0.68) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL23720127 0.80 L3MBTL1 (0.58) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL4678382 0.80 MEN1 (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4100624 0.77 ALDH1A1 (0.55) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL6728267 0.77 MEN1 (0.63) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL4682287 0.76 KMT2A (0.51) MAPTALDH1A1GAATDP1MEN1
SCHEMBL10384384 0.76 KMT2A (0.47) MAPTALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113070-B1 THE USE OF SUBSTITUTED NITRO AND CYANOGUANIDINES FOR INCREASING CROP YIELD AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP claimed
US-4594092-A Cytokinin-like response AMERICAN CYANAMID COMPANY (US) 1986-06-10 US claimed
EP-0113070-A1 The use of substituted nitro and cyanoguanidines for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1984-07-11 EP claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP disclosed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP disclosed
US-4944788-A Substituted nitro and cyanoguanidines and their use for increasing crop yields AMERICAN CYANAMID COMPANY (US) 1990-07-31 US disclosed
US-4804780-A PLANT GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1989-02-14 US disclosed
EP-0113070-B1 THE USE OF SUBSTITUTED NITRO AND CYANOGUANIDINES FOR INCREASING CROP YIELD AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed
EP-0189579-A1 Substituted nitro and cyanoguanidines and their use for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1986-08-06 EP disclosed
US-4594092-A Cytokinin-like response AMERICAN CYANAMID COMPANY (US) 1986-06-10 US disclosed
EP-0113070-A1 The use of substituted nitro and cyanoguanidines for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1984-07-11 EP disclosed