SCHEMBL5323325

SCHEMBL5323325

O=C1N(Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC(=S)NC2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 11/20 0.73
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
CCKBR P32239 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5323064 0.91 PTH1R (0.75) PTH1RCCKBR
SCHEMBL5459291 0.88 PTH1R (0.70) PTH1RCCKBR
SCHEMBL5320304 0.86 PTH1R (0.81) PTH1RCCKBR
SCHEMBL5322976 0.86 PTH1R (0.80) PTH1RALDH1A1LMNAGAACCKBR
SCHEMBL5329770 0.85 PTH1R (0.85) PTH1RCCKBR
SCHEMBL14566539 0.85 PTH1R (1.00) PTH1RCCKBR
SCHEMBL5327296 0.85 PTH1R (0.84) PTH1RCCKBR
SCHEMBL5326270 0.84 PTH1R (0.75) PTH1RCCKBR
SCHEMBL5327984 0.83 PTH1R (0.80) PTH1RCCKBR
SCHEMBL14566326 0.83 PTH1R (0.72) PTH1RCCKBR

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
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed