SCHEMBL10693439

SCHEMBL10693439

COC(=O)Cc1cn(CC=O)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
ICMT O60725 2/20 0.45
CNR1 P21554 1/20 0.44
AKR1C3 P42330 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.40
KRAS P01116 4/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PLA2G2A P14555 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TBXAS1 P24557 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
SCHEMBL10696722 0.84 CNR2 (0.49) CNR2ICMTCNR1SMN1; SMN2GAA
SCHEMBL10696568 0.82 ICMT (0.53) CNR2ICMTCNR1IDO1TBXAS1
SCHEMBL10696636 0.82 ICMT (0.53) CNR2ICMTCNR1AKR1C3IDO1
SCHEMBL10696255 0.82 ICMT (0.53) CNR2ICMTCNR1AKR1C3IDO1
SCHEMBL20604920 0.82 KDM4E (0.47) CNR2ICMTCNR1AKR1C3GAA
SCHEMBL22439157 0.79 ICMT (0.48) CNR2ICMTCNR1IDO1KRAS
SCHEMBL10695799 0.78 ICMT (0.49) CNR2ICMTCNR1AKR1C3IDO1
SCHEMBL12362475 0.77 ICMT (0.38) CNR2ICMTCNR1AKR1C3GAA
SCHEMBL18554793 0.75 LMNA (0.47) CNR2CNR1IDO1LMNAKRAS
SCHEMBL29545345 0.75 LMNA (0.47) CNR2CNR1IDO1LMNAKRAS

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
EP-0252404-A2 5-Hydroxy-3-indoleacetic acid fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 EP disclosed