SCHEMBL8887585

SCHEMBL8887585

O=C(O)CN(C(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.40
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.31
PARP1 P09874 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
NAMPT P43490 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8887587 0.87 KMT2A (0.40) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9067904 0.85 KMT2A (0.48) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9724362 0.81 PARP1 (0.36) KMT2AALDH1A1MAPTHTTOPRK1
SCHEMBL1055212 0.76 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL14417102 0.76 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8597576 0.75 ALDH1A1 (0.42) GPR139KMT2AALDH1A1MAPTHTT
Succinimide SCHEMBL8888235 0.74 KMT2A (0.44) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8595095 0.73 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL16135529 0.71 ALDH1A1 (0.53) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL19034783 0.71 GPR139 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616692-A Metal-radionuclide-labeled proteins and glycoproteins for diagnosis and therapy NEORX CORPORATION (US) 1997-04-01 US disclosed