SCHEMBL6585280

SCHEMBL6585280

Nc1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
PKM P14618 2/20 0.44
FGFR1 P11362 1/20 0.44
MEN1 O00255 4/20 0.43
GAA P10253 4/20 0.43
POLB P06746 3/20 0.43
GFER P55789 1/20 0.43
KLK7 P49862 1/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6585289 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL6581370 0.99 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL6581363 0.99 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL8551275 0.83 PDE10A (0.54) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL6582609 0.83 MAPT (0.50) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL8551282 0.83 PDE10A (0.54) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL6582603 0.83 MAPT (0.50) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL6832779 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL6832782 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1L3MBTL1KMT2A
SCHEMBL6847238 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1L3MBTL1KMT2A

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