SCHEMBL5333974

SCHEMBL5333974

O=C(O)c1c(-c2ccc(Cl)cc2)ccn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
AHR P35869 1/20 0.45
ANO1 Q5XXA6 3/20 0.41
KMO O15229 2/20 0.39
AKT1 P31749 1/20 0.38
MAP4K4 O95819 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
ACVR1 Q04771 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
DHODH Q02127 1/20 0.36
SLC22A12 Q96S37 2/20 0.36

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
SCHEMBL5341359 0.83 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL5339245 0.81 CNR1 (0.43) NPC1MAPTRAB9AANO1GPR119
SCHEMBL5335055 0.80 NAMPT (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15896756 0.79 DPP4 (0.40) SMN1; SMN2KDM4EALDH1A1SLC22A12XDH
SCHEMBL5344217 0.78 LMNA (0.51) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL5341402 0.76 NPC1 (0.40) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL5318651 0.76 HDAC1 (0.50) MAPTRAB9ACYP2C9
SCHEMBL5351052 0.75 SPTLC1 (0.50) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL5338080 0.75 P2RX7 (0.46) NPC1RAB9A
SCHEMBL7871163 0.73 KDM4E (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1

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