SCHEMBL2021089

SCHEMBL2021089

COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCNC3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNF P01375 19/20 1.00
LITAF Q99732 19/20 1.00
PDE4B Q07343 6/20 0.72
PDE4D Q08499 6/20 0.72

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
SCHEMBL2022328 1.00 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2021087 1.00 TNF (1.00) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL2018175 0.99 TNF (0.98) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL2016007 0.99 TNF (0.98) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL2016009 0.99 TNF (0.98) TNFLITAFPDE4BPDE4D
SCHEMBL2019680 0.95 TNF (1.00) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL2016471 0.94 TNF (0.98) TNFLITAFPDE4BPDE4D
SCHEMBL2019512 0.89 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2019671 0.89 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2019461 0.87 TNF (1.00) TNFLITAFPDE4BPDE4D

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-2244574-B1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF- SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2014-10-01 EP claimed
US-7964608-B2 Tricyclic compounds as modulators of TNF-α synthesis HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-21 US claimed