SCHEMBL8936166

SCHEMBL8936166

CCOP(=O)(C=Cc1ccnc2cc(Cl)ccc12)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
IDE P14735 1/20 0.42
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
NR4A2 P43354 2/20 0.40
SOS2 Q07890 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
CCR1 P32246 1/20 0.39
ATG4B Q9Y4P1 1/20 0.38
MAPT P10636 2/20 0.38
NSD1 Q96L73 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL6254428 0.74 ERN1 (0.46) POLBKMT2ALMNACYP1A2ALDH1A1
SCHEMBL6254422 0.74 ERN1 (0.46) POLBKMT2ALMNACYP1A2ALDH1A1
SCHEMBL8936216 0.72 POLB (0.44) POLBTHRBIDEPRNPRXFP1
SCHEMBL3709985 0.71 NR4A2 (0.56) PRNPRXFP1NR4A2SOS2KMT2A
SCHEMBL8936170 0.71 IDE (0.44) POLBTHRBIDEPRNPRXFP1
SCHEMBL8662087 0.70 MAOB (0.42) POLBKMT2ACYP1A2HSD17B10MAPT
SCHEMBL8662084 0.70 MAOB (0.42) POLBKMT2ACYP1A2HSD17B10MAPT
SCHEMBL8367161 0.69 NR4A2 (0.58) POLBTHRBPRNPRXFP1NR4A2
SCHEMBL10377143 0.68 POLB (0.63) POLBTHRBIDEPRNPRXFP1
SCHEMBL8057207 0.68 CNR1 (0.67) NR4A2SOS2KMT2ALMNACYP1A2

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
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed