SCHEMBL14765631

SCHEMBL14765631

COc1cc(CCC(=O)Nc2cccc(CI)c2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.71
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 1/20 0.56
HTT P42858 2/20 0.54
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL12164785 0.89 LMNA (0.73) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12599371 0.85 KMT2A (0.77) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12164773 0.84 LMNA (0.73) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4666943 0.84 LMNA (0.73) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12599740 0.82 LMNA (0.70) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12164774 0.81 LMNA (0.69) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12164780 0.81 LMNA (0.78) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1616778 0.81 ALDH1A1 (0.71) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10316455 0.80 LMNA (0.91) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1616412 0.77 LMNA (0.76) LMNAKMT2AMEN1MAPTSMN1; 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-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed