SCHEMBL5358610

SCHEMBL5358610

CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc([N+](=O)[O-])cn2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 10/20 0.61
MAPT P10636 6/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5351270 0.80 PTH1R (0.77) PTH1R
SCHEMBL5355993 0.80 PTH1R (0.53) PTH1RALDH1A1MEN1KMT2A
SCHEMBL5319870 0.78 PTH1R (0.60) PTH1RMAPTALDH1A1MEN1KMT2A
SCHEMBL5352610 0.76 PTH1R (0.54) PTH1R
SCHEMBL5328340 0.76 PTH1R (0.50) PTH1RMAPTALDH1A1MEN1KMT2A
SCHEMBL5366388 0.74 PTH1R (0.54) PTH1RMAPTALDH1A1MEN1KMT2A
SCHEMBL5347210 0.71 PTH1R (0.65) PTH1R
SCHEMBL5326104 0.71 PTH1R (0.45) PTH1R
SCHEMBL5362907 0.69 PTH1R (0.55) PTH1R
SCHEMBL5351237 0.68 PTH1R (0.54) PTH1RALDH1A1KMT2ALMNA

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