SCHEMBL9722832

SCHEMBL9722832

COC(=O)c1c(N)sc2c1CCC(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
MAPT P10636 9/20 0.42
HPGD P15428 7/20 0.42
KDM4E B2RXH2 7/20 0.42
HSD17B10 Q99714 7/20 0.42
ALOX15 P16050 6/20 0.42
GAA P10253 5/20 0.42
ALOX12 P18054 2/20 0.42
TSHR P16473 2/20 0.42
GRM6 O15303 1/20 0.41
GRM5 P41594 1/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
POLB P06746 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TLR2 O60603 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL9722796 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL9722751 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL31147257 0.71 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL22392290 0.69 ALDH1A1 (0.54) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL5453546 0.69 FLT3 (0.56) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL21247141 0.68 MAPT (0.74) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL14680531 0.68 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL3986618 0.68 MAPT (0.74) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL2179728 0.67 ALDH1A1 (0.70) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL2181401 0.67 ALDH1A1 (0.67) ALDH1A1MAPTHPGDKDM4EHSD17B10

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