SCHEMBL5584219

SCHEMBL5584219

CN(c1ccncc1)c1ncccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
HPGD P15428 6/20 0.36
ALDH1A1 P00352 5/20 0.36
SLC6A2 P23975 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
KCNA5 P22460 1/20 0.35
LRRK2 Q5S007 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL6191221 0.79 HTT (0.45) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL3783787 0.76 ALDH1A1 (0.40) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL21614128 0.75 ALDH1A1 (0.39) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL12125020 0.73 HPGD (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16580958 0.73 HPGD (0.40) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL5200518 0.71 KCNMA1 (0.47) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL9854328 0.71 ALDH1A1 (0.44) HPGDALDH1A1HTTCYP1A2CYP2D6
SCHEMBL1230919 0.71 PTK2 (0.50) ALDH1A1HTTJAK2JAK3
SCHEMBL14068342 0.70 ALDH1A1 (0.35) HPGDALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL15060539 0.70 PDE4B (0.35) JAK2JAK3KCNMA1

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
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed