SCHEMBL8156940

SCHEMBL8156940

COC(=O)c1[nH]c(CC(C)(C)C)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
GAA P10253 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 4/20 0.36
TSHR P16473 1/20 0.36
RAF1 P04049 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRS3 P32247 2/20 0.36
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
CFTR P13569 3/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL6181801 0.77 GAA (0.37) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL7813278 0.77 SMN1; SMN2 (0.41) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL3220088 0.76 MAPK14 (0.55) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL5440710 0.69 ALDH1A1 (0.35) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL5775175 0.62 ALDH1A1 (0.46) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL7812401 0.62 MAPK14 (0.48) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL20568972 0.62 GAA (0.45) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL21643603 0.62 PDPK1 (0.60) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL7634346 0.62 CYP1A2 (0.55) KDM4EGAAALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL7485321 0.61 CYP1A2 (0.53) KDM4EGAAALDH1A1HSD17B10HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO disclosed