SCHEMBL5346366

SCHEMBL5346366

CCOC(=O)c1cc(Cl)c2nc(-c3ccc(F)cc3)cn2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GRM5 P41594 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 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
SCHEMBL5341342 0.91 ALPL (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5357335 0.78 KDM4E (0.48) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL31071673 0.77 NPC1 (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12970525 0.74 APP (0.54) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5738428 0.74 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19436652 0.72 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL22117098 0.72 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL3500247 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2538107 0.71 NPC1 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19438686 0.71 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2LMNACYP1A2

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 1 patent. 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 disclosed