SCHEMBL4682287

SCHEMBL4682287

N#CNC(=N)Nc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
IDO1 P14902 1/20 0.46
USP2 O75604 1/20 0.45
HTR3E A5X5Y0 1/20 0.45

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
SCHEMBL2287569 0.84 MEN1 (0.64) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10383501 0.82 IDO1 (0.40) KMT2AMEN1MAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL15527640 0.82 MEN1 (0.62) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL13584733 0.80 MEN1 (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL29518687 0.80 MEN1 (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10384384 0.80 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4678382 0.80 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL8983449 0.80 IDO1 (0.63) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL18201566 0.80 MAPT (0.55) KMT2AMEN1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL13584417 0.79 MEN1 (0.58) KMT2AMEN1MAPTALDH1A1LMNA

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
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
US-4731396-A Thermal stabilization of acetal polymers CELANESE CORPORATION (US) 1988-03-15 US disclosed