SCHEMBL13745506

SCHEMBL13745506

COc1ccc(CNC(=O)C2CCN(C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TDP1 Q9NUW8 1/20 0.67
GAA P10253 1/20 0.66
POLB P06746 1/20 0.65
MAPT P10636 1/20 0.65
TSHR P16473 2/20 0.64
PKM P14618 2/20 0.60
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL15453396 0.89 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2TDP1GAAPOLB
SCHEMBL13746190 0.87 MAPT (0.61) ALDH1A1SMN1; SMN2TDP1POLBMAPT
SCHEMBL25045272 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TDP1GAAPOLB
SCHEMBL13746192 0.85 PKM (0.76) ALDH1A1SMN1; SMN2POLBMAPTTSHR
SCHEMBL5523975 0.85 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2TDP1GAAPOLB
SCHEMBL12993901 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TDP1TSHRPKM
SCHEMBL8372164 0.85 MEN1 (0.61) ALDH1A1SMN1; SMN2POLBMAPTTSHR
SCHEMBL17182848 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TDP1GAAPOLB
SCHEMBL17182851 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TDP1GAAPOLB
SCHEMBL17182903 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2TDP1GAAPOLB

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
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed