SCHEMBL7705228

SCHEMBL7705228

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCC2CCCO2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 2/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 7/20 0.50
NPC1 O15118 6/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
KLF5 Q13887 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 4/20 0.43
GSK3B P49841 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7693910 0.83 NPC1 (0.45) SMN1; SMN2KDM4EHSD17B10NPC1HTT
SCHEMBL7693979 0.83 IKBKB (0.42) ALDH1A1POLBKDM4ETP53HSD17B10
SCHEMBL7699627 0.81 IKBKB (0.40) SMN1; SMN2ALDH1A1POLBKDM4ETP53
SCHEMBL7698726 0.81 LMNA (0.47) POLBLMNARAB9AGSK3B
SCHEMBL7695326 0.81 IKBKB (0.40) SMN1; SMN2ALDH1A1KDM4ETP53HSD17B10
SCHEMBL7702181 0.81 MEN1 (0.44) SMN1; SMN2ALDH1A1KDM4ETP53KMT2A
SCHEMBL7696445 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBTSHRKDM4E
SCHEMBL7700006 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1POLBKDM4EKMT2A
SCHEMBL7699216 0.78 IKBKB (0.41) ALDH1A1KDM4ETP53HSD17B10HPGD
SCHEMBL7695157 0.78 IKBKB (0.48) ALDH1A1KDM4ETP53HSD17B10HPGD

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