SCHEMBL4781379

SCHEMBL4781379

COc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)c(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SCN9A Q15858 5/20 0.44
STAT3 P40763 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR9 P51686 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL3095654 0.92 STAT3 (0.51) TSHRSCN9ASTAT3ALDH1A1CCR9
SCHEMBL4777554 0.91 PKM (0.46) TSHRALDH1A1CCR9FFAR4KDM4E
SCHEMBL4781526 0.89 MEN1 (0.48) TSHRSCN9ASTAT3ALDH1A1CCR9
SCHEMBL3098055 0.85 AXL (0.52) SCN9ASTAT3KMT2AKEAP1NFE2L2
SCHEMBL30304671 0.83 KEAP1 (0.50) TSHRSTAT3CCR9KMT2ALMNA
SCHEMBL18315257 0.83 KEAP1 (0.50) TSHRSTAT3CCR9KMT2ALMNA
SCHEMBL4778484 0.81 KMT2A (0.48) TSHRSCN9ASTAT3ALDH1A1CCR9
SCHEMBL3097960 0.80 AXL (0.53) TSHRSCN9AKMT2ALMNANPSR1
SCHEMBL31478916 0.80 AXL (0.53) TSHRSCN9AKMT2ALMNANPSR1
SCHEMBL4780415 0.80 MEN1 (0.57) ALDH1A1KDM4EKMT2ALMNAKEAP1

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed