SCHEMBL8006532

SCHEMBL8006532

Nc1ccccc1OC(=O)c1cc2ccccc2cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 3/20 0.45
RCE1 Q9Y256 1/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
KDR P35968 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7996110 0.86 IDO1 (0.49) IDO1SMN1; SMN2TSHRGAARCE1
SCHEMBL11800875 0.83 IDO1 (0.65) IDO1SMN1; SMN2MAPTKMT2APOLB
SCHEMBL8003434 0.81 IDO1 (0.50) IDO1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL6430893 0.80 ALDH1A1 (0.60) SMN1; SMN2TSHRGAARCE1MAPT
SCHEMBL8006520 0.80 IDO1 (0.66) IDO1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL8632649 0.80 MAPT (0.50) SMN1; SMN2TSHRGAAMAPTKMT2A
SCHEMBL11575089 0.79 ALDH1A1 (0.50) IDO1GAAMAPTKMT2APOLB
SCHEMBL30576385 0.79 SMN1; SMN2 (0.56) SMN1; SMN2TSHRGAARCE1MAPT
SCHEMBL13292737 0.78 SMN1; SMN2 (0.59) SMN1; SMN2TSHRGAARCE1MAPT
SCHEMBL7991044 0.78 MAPT (0.55) IDO1SMN1; SMN2MAPTKMT2APOLB

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed
US-4086223-A Asymmetrical 1:2-chromium complex azo dyestuffs CIBA-GEIGY AG (CH) 1978-04-25 US disclosed