SCHEMBL3476407

SCHEMBL3476407

CC(C([NH])=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.47
OGA O60502 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 2/20 0.45
HTR1A P08908 1/20 0.43

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
SCHEMBL29246743 0.85 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4724317 0.84 NPC1 (0.48) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10530529 0.78 LMNA (0.53) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5962506 0.77 OGA (0.54) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL7546262 0.74 OGA (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4755801 0.74 OGA (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1911514 0.73 LMNA (0.56) KDM4EALDH1A1LMNAL3MBTL1CYP2C19
SCHEMBL10498542 0.72 LMNA (0.70) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6663539 0.72
SCHEMBL23863880 0.71 OGA (0.49) KDM4ERAB9AALDH1A1SMN1; SMN2TDP1

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
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO claimed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed