SCHEMBL8849707

SCHEMBL8849707

CCOC(=O)c1c(N)sc(C=O)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.60
MAPT P10636 10/20 0.60
HPGD P15428 9/20 0.60
GAA P10253 8/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
FHIT P49789 1/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
GRM6 O15303 3/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL2560663 0.84 FHIT (0.50) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL5119925 0.81 FHIT (0.72) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL18357823 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL2552064 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL223094 0.76 ALDH1A1 (1.00) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL9629916 0.75 L3MBTL1 (0.53) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL1605021 0.74 ALDH1A1 (0.68) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL15331123 0.72 MAPT (0.53) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL5331916 0.72 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL13343389 0.72 FHIT (1.00) ALDH1A1MAPTHPGDGAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679800-A DISPERSE DYES AND INTERMEDIATES FOR DISPERSE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 1997-10-21 US disclosed
US-5132411-A Blue shades SANDOZ LTD. (CH) 1992-07-21 US disclosed