SCHEMBL7969418

SCHEMBL7969418

CCCCCC(=O)c1ccc2cccnc2c1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
EGLN1 Q9GZT9 14/20 0.54
HSP90AA1 P07900 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
PAX8 Q06710 1/20 0.50
FAAH O00519 1/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

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
SCHEMBL29145024 0.92 FAAH (0.54) ALDH1A1EGLN1FAAH
SCHEMBL12647755 0.84 ALDH1A1 (0.67) ALDH1A1EGLN1HSP90AA1RAB9ANPC1
SCHEMBL11078712 0.83 PARP1 (0.53) ALDH1A1KMT2AFAAH
SCHEMBL7701140 0.82 EGLN1 (0.69) ALDH1A1EGLN1
SCHEMBL7686958 0.81 EGLN1 (0.67) ALDH1A1EGLN1
SCHEMBL7691417 0.81 EGLN1 (0.67) ALDH1A1EGLN1
SCHEMBL7686015 0.81 EGLN1 (0.67) ALDH1A1EGLN1
SCHEMBL31047580 0.81 EGLN1 (0.67) ALDH1A1EGLN1
SCHEMBL7684665 0.81 EGLN1 (0.67) ALDH1A1EGLN1
SCHEMBL7950969 0.81 EGLN1 (0.67) ALDH1A1EGLN1

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
US-6277504-B1 ELECTROLUMINESCENT ELECTROLYTIC CELL BAYER AG (DE) 2001-08-21 US disclosed