SCHEMBL5335058

SCHEMBL5335058

NCc1ccc(Cl)cc1.O=C(O)c1cccn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.65
ALDH1A3 P47895 4/20 0.54
ALDH1A2 O94788 3/20 0.54
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
PKM P14618 1/20 0.53
TMIGD3 P0DMS9 2/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
NR4A2 P43354 2/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5318652 0.95 DHODH (0.59) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5333968 0.90 DHODH (0.79) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL10211959 0.80 DHODH (1.00) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL1481133 0.79 DHODH (0.94) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL18038275 0.77 DHODH (0.79) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL5344215 0.77 DHODH (0.56) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL1419912 0.76 DHODH (0.61) DHODHALDH1A1KDM4ERAB9ANPC1
SCHEMBL5339242 0.74 ALDH1A1 (0.56) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL9091153 0.74 DHODH (0.73) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E
SCHEMBL8867127 0.74 DHODH (0.73) DHODHALDH1A3ALDH1A2ALDH1A1KDM4E

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