SCHEMBL3947010

SCHEMBL3947010

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
LMNA P02545 3/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
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
SCHEMBL13943099 0.94 HTT (0.48) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951093 0.91 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3945238 0.89 LMNA (0.50) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL13941761 0.89 HTT (0.49) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3945166 0.89 HTT (0.57) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3941659 0.89 HTT (0.49) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951486 0.88 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947317 0.88 HTT (0.56) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947215 0.88 LMNA (0.48) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3941981 0.88 LMNA (0.48) HTTSMN1; SMN2ALDH1A1TSHRPKM

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