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Sugi Predict / Compounds / SCHEMBL8182181

SCHEMBL8182181

SCHEMBL8182181

COc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCN(C(=O)c3ccc(C(=N)N)cc3)CC2)c(OC)c1COc1cccc2c(C)cc(C)nc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 8/20 0.60
▸ RORC P51449 12/20 0.52

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
SCHEMBL8182185 1.00 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL8183487 0.94 BDKRB2 (0.66) BDKRB2RORC
SCHEMBL8183485 0.94 BDKRB2 (0.66) BDKRB2RORC
Hydrochloric Acid SCHEMBL8181601 0.94 BDKRB2 (0.65) BDKRB2RORC
Hydrochloric Acid SCHEMBL8181599 0.94 BDKRB2 (0.65) BDKRB2RORC
SCHEMBL8183147 0.93 BDKRB2 (0.51) BDKRB2RORC
SCHEMBL8183146 0.93 BDKRB2 (0.51) BDKRB2RORC
SCHEMBL8187396 0.91 BDKRB2 (0.50) BDKRB2RORC
SCHEMBL8187398 0.91 BDKRB2 (0.50) BDKRB2RORC
SCHEMBL8182186 0.91 BDKRB2 (0.49) BDKRB2RORC

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
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 — — US disclosed