SCHEMBL4423633

SCHEMBL4423633

COC(=O)c1[nH]c(C(C)(C)C)cc1N(C(N)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
RAF1 P04049 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 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
SCHEMBL4428564 0.82 MAPK14 (0.44) MAPK14RAF1TSHRMAPTHPGD
SCHEMBL4420926 0.81 MAPK14 (0.56) MAPK14RAF1MEN1KMT2ATSHR
SCHEMBL3220088 0.70 MAPK14 (0.55) MAPK14RAF1TSHRALDH1A1KDM4E
SCHEMBL27605683 0.69 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL6825878 0.69 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL3241448 0.68 MAPK14 (1.00) MAPK14RAF1MEN1KMT2AALDH1A1
SCHEMBL13487957 0.67 MAPK14 (0.52) MAPK14RAF1MEN1KMT2AALDH1A1
SCHEMBL3539674 0.67 MAPK14 (0.52) MAPK14RAF1KMT2ATSHRALDH1A1
SCHEMBL7812401 0.66 MAPK14 (0.48) MAPK14RAF1ALDH1A1KDM4ENPSR1
SCHEMBL28844152 0.65 TRPM8 (0.56) MEN1KMT2ATSHRKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344960-B2 2009-10-14 JP claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed