SCHEMBL10147820

SCHEMBL10147820

CC(I)c1cnc(-c2cc(C(C)(C)C)nn2C)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL10146096 0.80 KDM4E (0.39) KDM4EGRNSORT1KDM5B
SCHEMBL13618719 0.79 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL18407334 0.70 KDM4E (0.38) KDM4EGRNSORT1KDM5B
SCHEMBL18415303 0.69 KDM5B (0.36) KDM4EGRNSORT1KDM5B
SCHEMBL10147819 0.68 KDM4E (0.42) KDM4EGRNSORT1
SCHEMBL10146074 0.68 KDM4E (0.42) KDM4EGRNSORT1
SCHEMBL13618716 0.68 KDM4E (0.40) KDM4EGRNSORT1
SCHEMBL10147794 0.68 KDM4E (0.34) KDM4EGRNSORT1KDM5B
SCHEMBL10147796 0.67 MAPT (0.37)
SCHEMBL351577 0.67 CNR2 (0.49) KDM4EGRNSORT1

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-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed