SCHEMBL28014759

SCHEMBL28014759

N=C(S)Nc1cccc(C(F)(F)F)c1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 7/20 0.58
GAA P10253 4/20 0.58
NPSR1 Q6W5P4 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 2/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
IDO1 P14902 1/20 0.55
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
XBP1 P17861 1/20 0.53
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL3826992 0.98 MAPT (0.60) MAPTALDH1A1GAANPSR1TDP1
Iodide SCHEMBL3535855 0.97 MAPT (0.58) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL2288364 0.84 MAPT (0.64) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL1999954 0.81 ALDH1A1 (0.61) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL11593120 0.81 MAPT (0.70) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL12348874 0.80 MAPT (0.55) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL28014060 0.78 EPHX2 (0.57) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL23720127 0.78 L3MBTL1 (0.58) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL27110819 0.78 MAPT (0.57) MAPTALDH1A1GAANPSR1TDP1
SCHEMBL2236573 0.77 MAPT (0.71) MAPTALDH1A1GAANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540814-A Cyanoguanidine and its use as antiviral agent ABBVIE INC 2015-04-22 CN disclosed