SCHEMBL2936786

SCHEMBL2936786

Cc1cccn1CCCOc1ccc(-n2cc(C(N)=O)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAP4K4 O95819 1/20 0.39
TBXAS1 P24557 1/20 0.38
ALKBH1 Q13686 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
HPGDS O60760 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2937460 0.90 HRH3 (0.45) HRH3RAB9ANPC1MAPTMEN1
Hydrochloric Acid SCHEMBL2938655 0.89 HPGDS (0.49) HRH3RAB9ANPC1MAPTMEN1
SCHEMBL2937597 0.83 HRH3 (0.67) HRH3RAB9ANPC1MAPTKDM4E
SCHEMBL2943744 0.80 HRH3 (0.64) HRH3RAB9ANPC1MAPTMEN1
SCHEMBL1180016 0.76 HRH3 (0.74) HRH3
SCHEMBL1178847 0.76 HRH3 (0.74) HRH3
SCHEMBL13211553 0.72 MAPKAPK2 (0.44) MAPKAPK2HRH3RAB9ANPC1MAPT
SCHEMBL20504240 0.72 MAPT (0.59) MAPKAPK2RAB9ANPC1MAPTMEN1
SCHEMBL5963038 0.71 PARP10 (0.57) MAPKAPK2RAB9ANPC1MAPTMEN1
SCHEMBL12301206 0.70 KCNA3 (0.50) HRH3RAB9ANPC1MAPTKDM4E

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
EP-2221298-A1 PHENYLPYRAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-08-25 EP disclosed