SCHEMBL7699252

SCHEMBL7699252

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CCSC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
ABL1 P00519 6/20 0.35
BCR P11274 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
FYN P06241 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL7697060 0.95 IKBKB (0.40) IKBKBABL1BCRSMN1; SMN2L3MBTL1
SCHEMBL7699727 0.88 IKBKB (0.42) IKBKBABL1BCRSMN1; SMN2L3MBTL1
SCHEMBL7699558 0.86 IKBKB (0.42) IKBKBABL1BCRSMN1; SMN2L3MBTL1
SCHEMBL7697995 0.85 IKBKB (0.40) IKBKBABL1BCRSMN1; SMN2
SCHEMBL7701523 0.83 L3MBTL1 (0.49) IKBKBABL1BCRSMN1; SMN2L3MBTL1
SCHEMBL7693907 0.81 MEN1 (0.51) SMN1; SMN2L3MBTL1TP53MAPTS1PR4
SCHEMBL7695157 0.81 IKBKB (0.48) IKBKBHDAC6HDAC3HDAC1HDAC2
SCHEMBL7693997 0.80 ATM (0.47) SMN1; SMN2L3MBTL1TP53MAPT
SCHEMBL7700386 0.80 RAB9A (0.42) SMN1; SMN2MAPT
SCHEMBL7693804 0.78 IKBKB (0.45) IKBKBHDAC6HDAC3HDAC1HDAC2

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