SCHEMBL5345220

SCHEMBL5345220

O=C(c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
PHGDH O43175 1/20 0.56
SLC2A2 P11168 1/20 0.53
SLC2A1 P11166 9/20 0.52
AKR1C3 P42330 1/20 0.52
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
CNR1 P21554 1/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL5337926 0.89 CNR1 (0.58) HPGDSLC2A1CNR1KMT2A
SCHEMBL5322233 0.89 CNR1 (0.58) HPGDSLC2A1CNR1KMT2A
SCHEMBL5342501 0.87 CCNC (0.45) KDM4ESMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL5318714 0.87 POLB (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDSLC2A1
SCHEMBL5341068 0.87 SLC2A2 (0.52) SLC2A2SLC2A1CNR1
SCHEMBL1691887 0.86 SLC2A2 (0.61) KDM4ESMN1; SMN2ALDH1A1CYP1A2HPGD
SCHEMBL5344690 0.85 LMNA (0.54) SMN1; SMN2ALDH1A1SLC2A1AKR1C3RAB9A
SCHEMBL5339197 0.84 CASP1 (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDSLC2A2
SCHEMBL5319613 0.83 SLC2A1 (0.52) KDM4ESMN1; SMN2ALDH1A1HPGDSLC2A2
SCHEMBL5341500 0.83 KMT2A (0.60) HPGDSLC2A1CNR1KMT2A

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