SCHEMBL19980704

SCHEMBL19980704

CC(C)(C#N)c1ccc(CO)cc1NC=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSF1R P07333 2/20 0.31
RORC P51449 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL19980649 0.78 MAPT (0.33) MAPTMAPK1NPSR1
SCHEMBL25135200 0.75 KDM4E (0.44) MAPT
SCHEMBL20684923 0.69 KDM5A (0.37) MAPTMAPK1NPSR1
SCHEMBL11281524 0.67 HTT (0.47) MAPT
SCHEMBL18983725 0.66 ESR1 (0.46) RORC
SCHEMBL19941849 0.64 CYP2A6 (0.38) MAPTMAPK1RORC
SCHEMBL24317094 0.64 ATM (0.42)
SCHEMBL14401880 0.63 ALDH1A1 (0.48) MAPTMAPK1
SCHEMBL936470 0.62 CYP19A1 (0.49) RORC
SCHEMBL11593770 0.62 MAPT (0.41) MAPTMAPK1NPSR1

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-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO disclosed