SCHEMBL8968222

SCHEMBL8968222

C=CCOc1ccc(N(C)C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 2/20 0.44
SRD5A1 P18405 3/20 0.43
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL16670325 0.87 MAPT (0.46) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL16682152 0.81 PAX8 (0.42) SMN1; SMN2POLBMAPTALDH1A1NPC1
SCHEMBL3832407 0.80 ALDH1A1 (0.77) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL11075339 0.77 NPC1 (0.43) SMN1; SMN2POLBMAPTLMNANPC1
SCHEMBL6783648 0.77 POLB (0.64) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL1092083 0.76 L3MBTL1 (0.61) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL5049713 0.76 LMNA (0.52) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL2537514 0.75 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL14756119 0.75 SMN1; SMN2 (0.77) SMN1; SMN2POLBMAPTALDH1A1LMNA
SCHEMBL28573186 0.74 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTALDH1A1LMNA

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-5527816-A AGRICULTURAL USE ROHM AND HAAS COMPANY (US) 1996-06-18 US disclosed
EP-0529974-A1 Fungicidal 2-aryl-2-cyano-2-(aryloxyalkyl)ethyl-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1993-03-03 EP disclosed