SCHEMBL902807

SCHEMBL902807

CC1Cc2c(c3ccccc3n2CCF)C(C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.52
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL417922 0.85 TSPO (0.70) TSPO
SCHEMBL15118336 0.85 TSPO (0.70) TSPO
SCHEMBL19590602 0.82 TSPO (0.44) TSPO
SCHEMBL417897 0.79 TSPO (0.71) TSPO
SCHEMBL11834168 0.78 P2RX4 (0.46) ALDH1A1
SCHEMBL413917 0.78 TSPO (0.62) TSPO
SCHEMBL19590537 0.74 TSPO (0.40) TSPOALDH1A1
SCHEMBL412189 0.74 TSPO (0.52) TSPO
SCHEMBL417887 0.72 TSPO (0.69) TSPO
SCHEMBL414152 0.68 TSPO (0.69) TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621544-A1 IN VIVO IMAGING METHOD FOR CANCER GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
WO-2012041953-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed