SCHEMBL8948371

SCHEMBL8948371

CC(=O)NCCSc1cc(NC(C)=O)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 4/20 0.47
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.42
NQO2 P16083 2/20 0.41
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
HDAC1 Q13547 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8921659 0.89 MTNR1A (0.50) MTNR1AMTNR1BTDP1ALDH1A1NQO2
SCHEMBL8445169 0.84 MTNR1A (0.50) MTNR1AMTNR1BTDP1ALDH1A1GSTP1
SCHEMBL8948416 0.82 TDP1 (0.52) TDP1ALDH1A1MAPTGAAHDAC1
SCHEMBL8447846 0.80 GSTP1 (0.57) MTNR1AMTNR1BTDP1ALDH1A1GSTP1
SCHEMBL11772594 0.77 TDP1 (0.53) TDP1ALDH1A1MAPTHDAC1TSHR
SCHEMBL9221638 0.76 MTNR1A (0.68) MTNR1AMTNR1BTDP1ALDH1A1MAPT
SCHEMBL8921661 0.75 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1GSTP1GSTM2
SCHEMBL8919768 0.75 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1GSTP1GSTM2
Hydrochloric Acid SCHEMBL8919928 0.74 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1GSTP1GSTM2
SCHEMBL8534889 0.72 MTNR1A (0.60) MTNR1AMTNR1BGAASMN1; SMN2

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
US-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed