SCHEMBL11211380

SCHEMBL11211380

CCCCn1cc(O)c(C)c(C#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.50
GRM2 Q14416 7/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 7/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.42
USP2 O75604 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
SCHEMBL11131096 0.94 TYR (0.44) TYRGRM2MEN1KMT2ALMNA
SCHEMBL11216542 0.94 TYR (0.44) TYRGRM2MEN1KMT2ALMNA
SCHEMBL11208013 0.94 TYR (0.44) TYRGRM2MEN1KMT2ALMNA
SCHEMBL11211118 0.91 TYR (0.47) TYRGRM2MEN1KMT2ALMNA
SCHEMBL8821197 0.85 ALDH1A1 (0.47) TYRMEN1KMT2ALMNAHTT
SCHEMBL7773778 0.81 KDM4E (0.38) GRM2MEN1KMT2ALMNAHTT
SCHEMBL621548 0.81 KDM4E (0.39) TYRGRM2MEN1KMT2ALMNA
SCHEMBL11214719 0.79 KDM4E (0.48) GRM2MEN1KMT2ALMNAKDM4E
SCHEMBL171187 0.78 GRM2 (0.54) TYRGRM2MEN1KMT2ALMNA
SCHEMBL621692 0.77 KDM4E (0.51) GRM2MEN1KMT2ALMNASMN1; 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
EP-0085823-A1 Dye mixture, process for its preparation and its use in dyeing and printing hydrophobic textile material CIBA-GEIGY AG (CH) 1983-08-17 EP disclosed
EP-0083313-A1 Dye mixture, process for its preparation and its use in dyeing and printing hydrophobic fibre material CIBA-GEIGY AG (CH) 1983-07-06 EP disclosed