SCHEMBL5337257

SCHEMBL5337257

CCCCCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
NPC1 O15118 8/20 0.54
KDM4E B2RXH2 8/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
POLB P06746 3/20 0.54
GAA P10253 2/20 0.54
NR4A2 P43354 2/20 0.53
CNR1 P21554 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGDS O60760 1/20 0.49
CYP2C19 P33261 1/20 0.49
FYN P06241 1/20 0.46
ALDH1A3 P47895 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL5343950 0.99 NPC1 (0.53) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL5337094 0.98 ALDH1A1 (0.54) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL5335420 0.80 NR4A2 (0.57) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL5343575 0.79 ALDH1A1 (0.58) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL5351251 0.78 NPC1 (0.52) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
Methylethylamine SCHEMBL5334196 0.78 ALDH1A1 (0.60) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL5343150 0.78 HPGDS (0.66) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL13509604 0.78 L3MBTL1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2127861 0.77 ALDH1A1 (0.72) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL3500247 0.77 NPC1 (0.56) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2

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-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed