SCHEMBL2661096

SCHEMBL2661096

COC(OC)C1CN=C(c2cc3cc(OC(=O)C(C)(C)C)cc(NS(=O)(=O)c4ncccc4C)c3[nH]2)S1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.32
PRTN3 P24158 2/20 0.32
CXCR2 P25025 1/20 0.30
CXCR4 P61073 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL2661098 0.78 NR1H2 (0.30)
SCHEMBL13221832 0.76
SCHEMBL2659966 0.75 XDH (0.35)
SCHEMBL2966007 0.74 GLO1 (0.41)
SCHEMBL2659602 0.73
SCHEMBL2660728 0.72 TUBB4A (0.37) CXCR2CXCR4
SCHEMBL2660615 0.68 SLC40A1 (0.47) CXCR2CXCR4
SCHEMBL2660310 0.66 OXTR (0.33)
SCHEMBL2660421 0.66 LMNA (0.45) CXCR2
SCHEMBL2969566 0.65 GLO1 (0.32)

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed