SCHEMBL23240404

SCHEMBL23240404

Cc1nc(C(C)(C)C)cnc1CO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL15211469 0.75 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11922107 0.74 KDM4E (0.32) KDM4E
SCHEMBL26937725 0.74 KDM4E (0.30) KDM4E
SCHEMBL24126818 0.73
SCHEMBL19745527 0.72 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23890468 0.71 KDM4E (0.31) KDM4E
SCHEMBL23240261 0.71
SCHEMBL15181429 0.69 KDM4E (0.37) KDM4EHSD17B10
SCHEMBL5576637 0.68 MEN1 (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26569667 0.67 KDM4E (0.31) KDM4E

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
WO-2021070132-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-04-15 WO disclosed