SCHEMBL6582609

SCHEMBL6582609

Brc1ccc2c(c1)nc(C=Cc1ccccc1)n2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 2/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 3/20 0.43
GFER P55789 1/20 0.43
KLK7 P49862 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL6582603 1.00 MAPT (0.50) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL8551275 0.83 PDE10A (0.54) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL6585289 0.83 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL8551282 0.83 PDE10A (0.54) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL6585280 0.83 ALDH1A1 (0.59) MAPTTP53SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL6581363 0.82 ALDH1A1 (0.58) MAPTTP53SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL6581370 0.82 ALDH1A1 (0.58) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL6583386 0.82 KDM4E (0.64) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL6583378 0.82 KDM4E (0.64) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL8550750 0.82 KDM4E (0.64) MAPTTP53SMN1; SMN2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP claimed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP claimed
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed