SCHEMBL5136975

SCHEMBL5136975

CCN(CC)C(=O)c1sc2nc(SC)nc(-c3ccc(F)c(C)c3)c2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FSHR P23945 1/20 0.41
BRAF P15056 4/20 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
SCHEMBL4908873 0.86 LHCGR (0.55) LHCGRALDH1A1KDM4EMAPTKMT2A
SCHEMBL4909137 0.86 LHCGR (0.54) LHCGRALDH1A1KDM4EMAPTHPGD
SCHEMBL4905960 0.85 LHCGR (0.61) LHCGRKDM4EMAPTKMT2AMEN1
SCHEMBL4425926 0.73 LHCGR (0.62) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL6216798 0.72 LHCGR (0.52) LHCGRALDH1A1KDM4EMAPTHPGD
SCHEMBL4907427 0.72 BRAF (0.55) LHCGRALDH1A1KDM4EMAPTHPGD
SCHEMBL14466565 0.71 BRAF (0.70) HPGDBRAFPDE4APDE4BPDE4C
SCHEMBL2131332 0.71 LHCGR (0.61) LHCGRALDH1A1KDM4EMAPTHPGD
SCHEMBL4899393 0.71 BRAF (0.58) LHCGRKDM4EMAPTKMT2AMEN1
SCHEMBL10134576 0.71 KDM4E (0.67) ALDH1A1KDM4EMAPTHPGDNPC1

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed