SCHEMBL9722819

SCHEMBL9722819

CCOC(=O)c1cc(NC=O)c(N)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 6/20 0.45
HPGD P15428 6/20 0.45
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 3/20 0.44
FHIT P49789 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 4/20 0.40
HSD17B10 Q99714 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9722770 0.78 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL12963136 0.75 GAA (0.69) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL11441054 0.74 KDM4E (0.51) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL17900475 0.73 ALDH1A1 (0.54) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL28748179 0.70 GAA (0.41) ALDH1A1MAPTGAAMAPK1ALOX15
SCHEMBL23413493 0.70 GAA (0.56) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL28786633 0.70 USP10 (0.56) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL11637070 0.70 MAPT (0.59) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL38152 0.69 MAPT (0.60) ALDH1A1MAPTHPGDGAASMN1; SMN2
SCHEMBL14234474 0.69 ALDH1A1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed