SCHEMBL5355993

SCHEMBL5355993

Cc1ccc2c(c1)N(c1ncc([N+](=O)[O-])cn1)C(=O)N(C(C)C)N=C2C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.53
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5319870 0.87 PTH1R (0.60) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5362907 0.87 PTH1R (0.55) PTH1R
SCHEMBL5358610 0.80 PTH1R (0.61) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5352610 0.78 PTH1R (0.54) PTH1R
SCHEMBL5322629 0.78 PTH1R (0.63) PTH1R
SCHEMBL5328340 0.76 PTH1R (0.50) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5343663 0.76 PTH1R (0.62) PTH1R
SCHEMBL5320662 0.73 PTH1R (0.54) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5328105 0.73 PTH1R (0.54) PTH1RMEN1KMT2AALDH1A1
SCHEMBL5347210 0.73 PTH1R (0.65) PTH1R

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-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed