SCHEMBL5344215

SCHEMBL5344215

O=C(NCCc1ccccc1)c1cccn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.56
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
ALDH1A2 O94788 1/20 0.52
ALDH1A3 P47895 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
THRB P10828 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.49
PDE2A O00408 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SCN2A Q99250 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
TMIGD3 P0DMS9 1/20 0.47

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
SCHEMBL5333968 0.81 DHODH (0.79) DHODHMAPTALDH1A2ALDH1A3NPC1
SCHEMBL5338077 0.78 HTR4 (0.52) DHODHALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL5339242 0.77 ALDH1A1 (0.56) DHODHLMNAMAPTALDH1A2ALDH1A3
SCHEMBL5335058 0.77 DHODH (0.65) DHODHMAPTALDH1A2ALDH1A3NPC1
SCHEMBL8866544 0.74 DHODH (0.52) DHODHMAPTALDH1A2ALDH1A3NPC1
SCHEMBL8865976 0.73 DHODH (0.51) DHODHALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL5318652 0.73 DHODH (0.59) DHODHMAPTALDH1A2ALDH1A3NPC1
SCHEMBL10211959 0.73 DHODH (1.00) DHODHALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL1481133 0.73 DHODH (0.94) DHODHALDH1A2ALDH1A3NPC1RAB9A
SCHEMBL12753158 0.73 DHODH (0.69) DHODHLMNAMAPTALDH1A2ALDH1A3

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