SCHEMBL9823677

SCHEMBL9823677

CCC(CC)=C(c1cc(Cl)ccc1OC)n1cncn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 3/20 0.41
KCNMA1 Q12791 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
GRM7 Q14831 2/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL9824359 0.87 ALDH1A1 (0.39) LMNAALDH1A1HTTKMT2AMAPT
SCHEMBL9823846 0.85 CCR5 (0.45) GAAMAPT
SCHEMBL9823802 0.81 KMT2A (0.44) ALDH1A1HTTKMT2ATSHRKCNMA1
SCHEMBL9823586 0.69 SMN1; SMN2 (0.40) LMNAALDH1A1HTTKMT2AGAA
SCHEMBL9720636 0.67 LMNA (0.65) LMNAALDH1A1HTTKMT2ATSHR
SCHEMBL10552875 0.64 LMNA (0.60) LMNAALDH1A1HTTKMT2ATSHR
SCHEMBL16951330 0.64 LMNA (0.56) LMNAALDH1A1HTTKMT2ATSHR
SCHEMBL6358441 0.63 MAPT (0.60) LMNAALDH1A1HTTKMT2ATSHR
SCHEMBL17457926 0.62 TSHR (0.51) LMNAALDH1A1HTTKMT2ATSHR
SCHEMBL11204887 0.62 ALDH1A1 (0.43) LMNAALDH1A1HTTKMT2ATSHR

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
EP-0227100-B1 N-VINYLIMIDAZOLES AND -TRIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-04-03 EP claimed