SCHEMBL6987158

SCHEMBL6987158

CC(C)n1nc(-c2ccnn2-c2ccccc2OCC(=O)N2CCCC2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FKBP1A P62942 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 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
SCHEMBL6988129 0.94 TSHR (0.40) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL6988697 0.80 NR3C2 (0.43)
SCHEMBL6986889 0.75 L3MBTL1 (0.40) KMT2AALDH1A1HTTL3MBTL1KDM4E
SCHEMBL6987522 0.73 KMT2A (0.38) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL6986523 0.71 HTT (0.42) MEN1KMT2ATSHRALDH1A1HTT
SCHEMBL6987595 0.71 TDP1 (0.42) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL6986938 0.71 LMNA (0.42) MEN1KMT2ATSHRALDH1A1HTT
SCHEMBL6981881 0.70 PDE10A (0.43) POLBTSHRALDH1A1HTTGAA
SCHEMBL6983758 0.69 HTT (0.41) TSHRALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6822155 0.69 LMNA (0.46) MEN1KMT2ATSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 WO disclosed