SCHEMBL8370641

SCHEMBL8370641

O=C(O)NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.49
ADRA2A P08913 7/20 0.49
ADRA2B P18089 3/20 0.49
ADRA2C P18825 3/20 0.49

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
SCHEMBL8008337 0.87 CA1 (0.59) PNMTADRA2AADRA2BADRA2C
SCHEMBL3803914 0.87 CA1 (0.59) PNMTADRA2AADRA2BADRA2C
SCHEMBL27744228 0.83 ADRA2A (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6558753 0.83 CA12 (0.61) PNMTADRA2AADRA2BADRA2C
SCHEMBL3441770 0.83 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6202191 0.81 DRD2 (0.58) PNMTADRA2AADRA2BADRA2C
SCHEMBL2076586 0.80 WDR5 (0.51)
SCHEMBL2241528 0.80 TDP1 (0.52) PNMTADRA2AADRA2BADRA2C
SCHEMBL9716393 0.80 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed