SCHEMBL8968174

SCHEMBL8968174

CC(=O)N(C)c1ccc(OCCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
HDAC1 Q13547 1/20 0.44
MCHR1 Q99705 2/20 0.43
SRD5A1 P18405 1/20 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
SCHEMBL6783648 0.87 POLB (0.64) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL28573186 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL3832407 0.80 ALDH1A1 (0.77) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL3365028 0.77 L3MBTL1 (0.43) SMN1; SMN2POLBL3MBTL1GAAHDAC1
SCHEMBL1334332 0.76 L3MBTL1 (0.79) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL5048664 0.76 LMNA (0.52) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL3367105 0.76 GAA (0.44) L3MBTL1GAAHDAC1MCHR1
SCHEMBL3368971 0.76 GAA (0.44) L3MBTL1GAAHDAC1MCHR1
SCHEMBL14756119 0.75 SMN1; SMN2 (0.77) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL3366751 0.75 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAMAPTL3MBTL1

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