SCHEMBL5281350

SCHEMBL5281350

O=C1Nc2ccccc2C(C2CCCCC2)=NN1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 6/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL5324629 0.83 STING1 (0.37) PTH1RALDH1A1GAAHPGDHSD17B10
SCHEMBL5321802 0.80 CES2 (0.41) ALDH1A1GAAHPGDHSD17B10PDE4A
SCHEMBL5324581 0.80 CES2 (0.41) ALDH1A1GAAHPGDHSD17B10PDE4A
SCHEMBL5320501 0.80 CES2 (0.41) ALDH1A1GAAHPGDHSD17B10PDE4A
SCHEMBL5324527 0.80 CES2 (0.41) ALDH1A1GAAHPGDHSD17B10PDE4A
SCHEMBL5325094 0.80 CES2 (0.41) ALDH1A1GAAHPGDHSD17B10PDE4A
SCHEMBL5322937 0.80 MBTD1 (0.40) PTH1RALDH1A1GAAHPGDHSD17B10
SCHEMBL5287497 0.79 PTH1R (0.50) PTH1RALDH1A1PDE4APDE4BPDE4C
SCHEMBL5293098 0.78 PTPN1 (0.37) PTH1RALDH1A1GAAHPGDHSD17B10
SCHEMBL5321770 0.77 LMNA (0.36) PTH1RALDH1A1GAAHPGDHSD17B10

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