SCHEMBL6506545

SCHEMBL6506545

O=C(NNC1CCCCC1)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 1/20 0.35
S1PR1 P21453 2/20 0.35
HCAR3 P49019 1/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3685973 0.84 ALDH1A1 (0.50) HPGDSMN1; SMN2L3MBTL1ALDH1A1CNR1
SCHEMBL7512969 0.76 SMYD3 (0.43) SMN1; SMN2L3MBTL1ALDH1A1CNR1NPC1
SCHEMBL4000977 0.73 GRM5 (0.62) SMN1; SMN2MAPTALDH1A1KDM4EGAA
SCHEMBL3679576 0.73 MAPT (0.68) HPGDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL17396100 0.72 PBK (0.52)
SCHEMBL20497247 0.72 PBK (0.52)
SCHEMBL965456 0.72 NPSR1 (0.30)
SCHEMBL9212654 0.70 HRH4 (0.48) HDAC3HDAC1HDAC2HDAC6
SCHEMBL13485764 0.69
SCHEMBL22372167 0.69 CNR1 (0.45) HDAC6ALDH1A1KDM4ECNR1NPC1

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
WO-2005009974-A1 IMIDAZOLE COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-02-03 WO disclosed