SCHEMBL8434404

SCHEMBL8434404

CCCCc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.52
AGTR1 P30556 6/20 0.49
TLR8 Q9NR97 1/20 0.48
DCTPP1 Q9H773 1/20 0.46
KMT2A Q03164 1/20 0.46
AGTR2 P50052 4/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL8438573 0.85 KMT2A (0.43) TLR7AGTR1TLR8KMT2AAGTR2
SCHEMBL1256306 0.79 TLR7 (0.56) TLR7AGTR1TLR8AGTR2
SCHEMBL1258839 0.78 TLR7 (0.53) TLR7AGTR1TLR8AGTR2
SCHEMBL8793373 0.75 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9275378 0.75 AGTR1 (0.78) TLR7AGTR1AGTR2DRD2TBXA2R
SCHEMBL7850660 0.75 ALDH1A1 (0.64) TLR7AGTR1KMT2AAGTR2MAPT
SCHEMBL9235615 0.74 TLR7 (0.54) TLR7AGTR1TLR8AGTR2MAPT
SCHEMBL3324054 0.74 AGTR1 (0.59) TLR7AGTR1AGTR2
SCHEMBL556 0.74 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL15331639 0.74 TLR7 (0.54) TLR7AGTR1TLR8AGTR2DRD2

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
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed