SCHEMBL17554695

SCHEMBL17554695

O=C1N=C2c3ccccc3C=CN2C12C=CCC2

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL544381 0.79 CFTR (0.38) CFTRALDH1A1
SCHEMBL543542 0.76 CFTR (0.38) CFTRALDH1A1
SCHEMBL543814 0.72 CFTR (0.38) CFTRALDH1A1
SCHEMBL892731 0.68 ALDH1A1 (0.42) CFTRALDH1A1
SCHEMBL3171120 0.67 ALDH1A1 (0.46) CFTRALDH1A1
SCHEMBL14181778 0.65 CFTR (0.33) CFTR
SCHEMBL15803168 0.62 CFTR (0.30) CFTR
SCHEMBL7868294 0.61 KDM4E (0.36) CFTRALDH1A1
SCHEMBL13435562 0.59 KDM4E (0.33) CFTRALDH1A1
SCHEMBL10375396 0.56 PTAFR (0.34) CFTRALDH1A1

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-2077836-B1 AMYLOID BETA DEPOSITION INHIBITOR CONTAINING SPIRO-HETEROCYCLIC COMPOUND ZENYAKU KOGYO KK (JP) 2016-03-09 EP claimed