SCHEMBL5868523

SCHEMBL5868523

COC(=O)CC(=O)N(Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
CACNA1C Q13936 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
SCHEMBL11856575 0.86 RAB9A (0.65) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL5868574 0.85 RAB9A (0.49) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL9292148 0.84 RAB9A (0.54) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11856566 0.83 RAB9A (0.61) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11852050 0.81 RAB9A (0.62) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL5868377 0.79 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11856103 0.78 RAB9A (0.59) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11858868 0.78 RAB9A (0.59) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11862268 0.77 RAB9A (0.57) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL11857767 0.77 RAB9A (0.57) SMN1; SMN2RAB9AKMT2AMEN1TDP1

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-7049343-B2 Substituted hydrazine derivatives MERCK & CO., INC. (US) 2006-05-23 US disclosed