SCHEMBL9717762

SCHEMBL9717762

COc1ccccc1C(C#N)NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SGMS2 Q8NHU3 2/20 0.47
GFER P55789 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL28496585 0.79 MC4R (0.43) ALDH1A1CTSSCTSKSMN1; SMN2LMNA
SCHEMBL6266626 0.77 ANPEP (0.44) ALDH1A1KDM4ESGMS2CTSSCTSK
SCHEMBL19658729 0.77 CA1 (0.54) ALDH1A1GFERSMN1; SMN2MTNR1AMTNR1B
SCHEMBL27882263 0.76 POLB (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAMTNR1A
SCHEMBL4898182 0.76 CTSS (0.61) ALDH1A1KDM4ESGMS2CTSSCTSK
SCHEMBL4898169 0.76 CTSS (0.61) ALDH1A1KDM4ESGMS2CTSSCTSK
SCHEMBL4898191 0.76 CTSS (0.61) ALDH1A1KDM4ESGMS2CTSSCTSK
SCHEMBL14065364 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ECTSSCTSKMTNR1A
SCHEMBL31724327 0.74 KMT2A (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL14761368 0.73 SGMS2 (0.51) ALDH1A1KDM4ESGMS2SMN1; SMN2LMNA

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-5079346-A High uptake in heart, lipid soluble; myocardial perfusion imaging TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1992-01-07 US disclosed
WO-1991017168-A1 GALLIUM-LABELLED IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1991-11-14 WO disclosed