SCHEMBL5047332

SCHEMBL5047332

CSc1ccc(B(O)O)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
IDO1 P14902 1/20 0.32
SLC6A4 P31645 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
SCN1A P35498 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL3781341 0.83 MCL1 (0.36) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL3784454 0.79 SLC6A4 (0.37) MCL1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL3799830 0.77 MAOA (0.43) MCL1SLC6A4HTR2CKMT2A
SCHEMBL14537914 0.77 MCL1 (0.46) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL30381395 0.77 MCL1 (0.37) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL3786844 0.77 MCL1 (0.37) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL389284 0.77 MAPT (0.38) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL4544572 0.76 ALDH1A1 (0.54) MCL1NOS3NOS1MEN1KMT2A
SCHEMBL384929 0.75 MCL1 (0.36) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL31379107 0.75 HSD17B10 (0.38) MCL1GRIN2DGRIN3BSCN1AGRIN1

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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed