SCHEMBL8544711

SCHEMBL8544711

COC(=O)N(C)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 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
SCHEMBL514812 0.85 ALDH1A1 (0.39) GAAHDAC6ALDH1A1TSHRHPGD
SCHEMBL17086067 0.83 ALDH1A1 (0.41) GAAHDAC6ALDH1A1TSHRHTT
SCHEMBL8835734 0.83 ALDH1A1 (0.49) GAAHDAC6ALDH1A1TSHRL3MBTL1
SCHEMBL4018620 0.82 GAA (0.43) GAAALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL27701441 0.80 POLB (0.42) GAAHDAC6ALDH1A1TSHRHTT
SCHEMBL8541907 0.78 ALDH1A1 (0.44) GAAALDH1A1HPGDHTTKDM4E
SCHEMBL11789572 0.78 ALDH1A1 (0.41) GAAHDAC6ALDH1A1TSHRHTT
SCHEMBL8779748 0.77 TSHR (0.47) GAAALDH1A1TSHRALOX15SMN1; SMN2
SCHEMBL31612303 0.77 ALDH1A1 (0.40) GAAHDAC6ALDH1A1TSHRHTT
SCHEMBL26631742 0.76 ALDH1A1 (0.47) GAAHDAC6ALDH1A1TSHRHPGD

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-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed