SCHEMBL19985055

SCHEMBL19985055

C=CC(O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.46
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 2/20 0.45
THRB P10828 1/20 0.45
ACP3 P15309 3/20 0.43
POLB P06746 2/20 0.43
ALOX12 P18054 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 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
SCHEMBL4190259 0.77 IDO1 (0.50) SMN1; SMN2SIGMAR1TSHRIDO1THRB
SCHEMBL2450662 0.76 SMN1; SMN2 (0.51) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL21193056 0.76 SIGMAR1 (0.55) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL859511 0.76 SMN1; SMN2 (0.51) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL11497489 0.76 SMN1; SMN2 (0.47) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL28849149 0.74 SMN1; SMN2 (0.50) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL4843164 0.74 SMN1; SMN2 (0.59) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL7789516 0.74 SIGMAR1 (0.53) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL3293876 0.74 SMN1; SMN2 (0.59) SMN1; SMN2SIGMAR1TSHRATML3MBTL1
SCHEMBL1850858 0.73 ANPEP (0.47) IDO1THRBALDH1A1ADH1BADH1C

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-3296368-A1 ETCH-RESISTANT INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT (BE) 2018-03-21 EP disclosed