SCHEMBL8936216

SCHEMBL8936216

CCOP(=O)(CCc1ccnc2cc(Cl)ccc12)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
IDE P14735 1/20 0.43
NR4A2 P43354 2/20 0.42
SOS2 Q07890 1/20 0.42
KMT2A Q03164 2/20 0.42
PRNP P04156 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CCR1 P32246 1/20 0.40
HTT P42858 1/20 0.40
NSD1 Q96L73 1/20 0.39
NSD2 O96028 1/20 0.39
FERMT2 Q96AC1 1/20 0.39

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
SCHEMBL8367161 0.77 NR4A2 (0.58) POLBTHRBNR4A2SOS2KMT2A
SCHEMBL14394991 0.75 CCR1 (0.55) POLBTHRBNR4A2SOS2CYP1A2
SCHEMBL6254703 0.74 KMT2A (0.46) POLBKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8936172 0.72 SMN1; SMN2 (0.49) SMN1; SMN2LMNA
SCHEMBL8936166 0.72 POLB (0.42) POLBTHRBIDENR4A2SOS2
SCHEMBL8936170 0.72 IDE (0.44) POLBTHRBIDENR4A2SOS2
SCHEMBL10377143 0.70 POLB (0.63) POLBTHRBIDENR4A2SOS2
SCHEMBL10912425 0.70 TAAR1 (0.44) POLBKMT2ACYP1A2ALDH1A1KDM4E
SCHEMBL8118475 0.69 CCR1 (0.48) POLBNR4A2SOS2KMT2APRNP
SCHEMBL8936122 0.68 KDM4E (0.38) POLBNR4A2KMT2ASMN1; SMN2ALDH1A1

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