SCHEMBL7699558

SCHEMBL7699558

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CC=CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
NOTUM Q6P988 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7699727 0.90 IKBKB (0.42) IKBKBABL1BCRLMNAMAPT
SCHEMBL7705020 0.89 IKBKB (0.46) IKBKBNOTUMHDAC6HDAC3HDAC1
SCHEMBL7697060 0.88 IKBKB (0.40) IKBKBABL1BCRNOTUMHDAC6
SCHEMBL7697995 0.87 IKBKB (0.40) IKBKBABL1BCRLMNATHRB
SCHEMBL7699252 0.86 IKBKB (0.39) IKBKBABL1BCRNOTUMHDAC6
SCHEMBL7701523 0.86 L3MBTL1 (0.49) IKBKBABL1BCRLMNAMAPT
SCHEMBL7695157 0.85 IKBKB (0.48) IKBKBNOTUMHDAC6HDAC3HDAC1
SCHEMBL7693907 0.83 MEN1 (0.51) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL7693997 0.82 ATM (0.47) LMNATHRBMAPTTP53KDM4E
SCHEMBL7700110 0.81 KDM4E (0.44) IKBKBLMNAMAPTKDM4EALDH1A1

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