SCHEMBL8723479

SCHEMBL8723479

N#CCC(CNC(=O)CSC(=O)c1ccccc1)NC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.52
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 10/20 0.36
CTSS P25774 7/20 0.36
CTSB P07858 5/20 0.36
CTSK P43235 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL8725848 0.83 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9398221 0.81 GPR139 (0.53) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL7716214 0.81 GPR139 (0.53) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL6381157 0.78 GPR139 (0.58) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL15962938 0.75 GPR139 (0.59) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL17369074 0.73 GPR139 (0.60) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL11098136 0.72 GPR139 (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8726808 0.72
SCHEMBL8980464 0.71 GPR139 (0.60) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8595095 0.70 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756685-A MEDICAL DIAGNOSIS; THERAPY NEORX CORPORATION (US) 1998-05-26 US disclosed
US-5556982-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1996-09-17 US disclosed
US-5242679-A Complexes for imaging tumors NEORX CORPORATION (US) 1993-09-07 US disclosed
US-5175343-A For detection, radiotherapy and radeoimaging of tumors NEORX CORPORATION (US) 1992-12-29 US disclosed
US-5120526-A Chelate compounds NEORX CORPORATION (US) 1992-06-09 US disclosed
EP-0188256-B1 METAL RADIONUCLIDE LABELED PROTEINS FOR DIAGNOSIS AND THERAPY NeoRx (US) 1991-08-21 EP disclosed
US-5037630-A Chelated polypeptides specific for tumors, improved imaging NEORX CORPORATION (US) 1991-08-06 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0188256-A2 Metal radionuclide labeled proteins for diagnosis and therapy NeoRx (US) 1986-07-23 EP disclosed