SCHEMBL8910147

SCHEMBL8910147

CC1=C(C(=O)OC(C)(C)C)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
GRM6 O15303 1/20 0.31
PDK2 Q15119 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL8910755 0.87 TSHR (0.33) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8910392 0.83 CCNB2 (0.32) LMNAMAPTHTT
SCHEMBL8142537 0.83 MYC (0.34) MAPTHTTALDH1A1
SCHEMBL8148024 0.83 TDP2 (0.40) MAPTHTTCYP2C9CYP2C19
SCHEMBL8153428 0.81 TP53 (0.36) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL8149803 0.80 TP53 (0.37) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL8146061 0.80 TP53 (0.37) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL8910285 0.80 PARP10 (0.44) MAPTALDH1A1
SCHEMBL8156114 0.80 CHRM2 (0.38) MAPTALDH1A1
SCHEMBL8536552 0.79 GAA (0.32) LMNAHSP90AA1MAPTHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed