SCHEMBL5768129

SCHEMBL5768129

c1c2c(cc3c1OCO3)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
CYP3A4 P08684 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL27382541 0.89 ITGB2 (0.53) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL15982628 0.80 LMNA (0.60) MAPTSMN1; SMN2GAAPOLBKMT2A
SCHEMBL15982312 0.80 LMNA (0.60) MAPTSMN1; SMN2GAAPOLBKMT2A
SCHEMBL15982613 0.80 LMNA (0.60) MAPTSMN1; SMN2GAAPOLBKMT2A
SCHEMBL12732266 0.76 ITGB2 (0.47) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1134704 0.76 CYP3A4 (0.48) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL18873211 0.73 CYP3A4 (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL86325 0.72 MAOB (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ANFKB1
SCHEMBL22763282 0.72 CMA1 (0.42) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL20225725 0.71 PDCD1 (0.46) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed