SCHEMBL7700374

SCHEMBL7700374

CCN(C(=O)c1nc(-c2ccccc2-c2ccccc2)oc1-c1ccc(N(C)C)cc1)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FABP4 P15090 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MEN1 O00255 1/20 0.30
NR4A2 P43354 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
SCHEMBL7702693 0.93 KMT2A (0.38) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7704553 0.81 IKBKB (0.34) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7700372 0.76 HPGD (0.41) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7698850 0.75 GPBAR1 (0.39) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7695160 0.75 MAPT (0.41) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7696355 0.73 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7698049 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7699568 0.72 GPBAR1 (0.44) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL7695324 0.71 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL7695817 0.70 MAOB (0.42) ALDH1A1KDM4EHSD17B10

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed