SCHEMBL7438435

SCHEMBL7438435

O=[N+]([O-])c1ccc2c(c1)CNC(=S)NC2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 11/20 0.57
▸ ADRA2A P08913 8/20 0.57
▸ ADRA2B P18089 3/20 0.53
▸ ADRA2C P18825 3/20 0.53

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
SCHEMBL2061424 0.84 PNMT (0.58) PNMTADRA2AADRA2BADRA2C
SCHEMBL383577 0.82 PNMT (0.74) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1786988 0.80 PNMT (0.72) PNMTADRA2AADRA2BADRA2C
SCHEMBL2081772 0.78 TDP2 (0.60) PNMTADRA2AADRA2BADRA2C
SCHEMBL21247680 0.78 TDP2 (0.60) PNMTADRA2AADRA2BADRA2C
SCHEMBL30839537 0.78 TDP2 (0.60) PNMTADRA2AADRA2BADRA2C
Nitric Acid SCHEMBL4718613 0.77 PNMT (0.68) PNMTADRA2AADRA2BADRA2C
Nitric Acid SCHEMBL4718617 0.77 PNMT (0.68) PNMTADRA2AADRA2BADRA2C
SCHEMBL2062101 0.77 PNMT (0.62) PNMTADRA2AADRA2BADRA2C
SCHEMBL7653205 0.73 PNMT (0.57) PNMTADRA2AADRA2BADRA2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 — — US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 — — EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 — — WO disclosed
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