SCHEMBL4781870

SCHEMBL4781870

COc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)c(-c2nc(C)no2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 4/20 0.40
MTOR P42345 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EDNRA P25101 2/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
SCN9A Q15858 1/20 0.39
EDNRB P24530 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4836640 0.88 EDNRA (0.46) PIK3CGPIK3CDPIK3CBMTORMEN1
SCHEMBL4727594 0.86 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBMTOREDNRA
SCHEMBL4781223 0.86 EDNRB (0.48) MEN1KMT2AEDNRASCN9AEDNRB
SCHEMBL4780564 0.83 AXL (0.47) MEN1KMT2ASCN9ALMNASMN1; SMN2
SCHEMBL30304724 0.83 AXL (0.47) MEN1KMT2ASCN9ALMNASMN1; SMN2
SCHEMBL4780300 0.78 ALDH1A1 (0.51) PIK3CGPIK3CDMEN1KMT2AEDNRA
SCHEMBL4793152 0.74 SLC40A1 (0.46) MEN1KMT2AEDNRAEDNRBKEAP1
SCHEMBL4777477 0.71 EDNRB (0.50) PIK3CGPIK3CDPIK3CBMTOREDNRA
SCHEMBL4846633 0.71 SLC20A2 (0.49) MEN1KMT2AKEAP1NFE2L2LMNA
SCHEMBL4775594 0.71 SLC20A2 (0.51) MEN1KMT2AKEAP1NFE2L2LMNA

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