SCHEMBL10401569

SCHEMBL10401569

FC(F)(F)C1=C(c2ccccc2)C(c2ccccc2)=CC[CH]1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5887218 0.80 LTA4H (0.46) BACE1ALDH1A1
Ethane SCHEMBL27743200 0.72 PDE4B (0.32)
SCHEMBL6505018 0.69 PDE4B (0.40) BACE1ALDH1A1TSHR
SCHEMBL31497105 0.67 ALDH1A1 (0.47) BACE1ALDH1A1
SCHEMBL8005753 0.67 KIF11 (0.36) KIF11BACE1ALDH1A1TSHR
Ethane SCHEMBL27811114 0.64
SCHEMBL8014938 0.63 KIF11 (0.36) KIF11BACE1ALDH1A1TSHR
SCHEMBL14723151 0.63 BACE1 (0.34) BACE1ALDH1A1
Biphenyl SCHEMBL27543247 0.62 ALDH1A1 (0.64) KIF11BACE1ALDH1A1TSHR
SCHEMBL9506721 0.61 KMT2A (0.42) BACE1ALDH1A1

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-4894368-A CARDIOVASCULAR DISORDERS, DIURETICS AMERICAN CYANAMID COMPANY (US) 1990-01-16 US disclosed