SCHEMBL3941981

SCHEMBL3941981

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)N[C@@H]2c2ccc3c(c2)NC(=O)CS3)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HTT P42858 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.47
PKM P14618 3/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.40
TP53 P04637 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
SCHEMBL3942674 1.00 LMNA (0.48) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3947215 1.00 LMNA (0.48) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951093 0.91 HTT (0.55) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL13942596 0.90 LMNA (0.49) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3941659 0.90 HTT (0.49) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3945166 0.89 HTT (0.57) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL13943099 0.89 HTT (0.48) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951486 0.88 HTT (0.53) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3947317 0.88 HTT (0.56) LMNAHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3951510 0.88 MEN1 (0.40) LMNATSHRKMT2AMEN1GAA

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed