SCHEMBL3950411

SCHEMBL3950411

CC(OC(=O)C1=C(CCc2ccc3c(c2)OCO3)NC(=O)NC1c1c[nH]c2cnccc12)c1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 3/20 0.34
PKM P14618 1/20 0.34
POLB P06746 3/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
CTSL P07711 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL3950517 0.89 HTT (0.37) HTTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL3945208 0.89 HTT (0.44) HTTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL3951301 0.85 HTT (0.46) HTTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL3944413 0.84 SMN1; SMN2 (0.46) HTTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL3942783 0.84 HTT (0.51) HTTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL3945317 0.83 SMN1; SMN2 (0.44) HTTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL3948146 0.82 SMN1; SMN2 (0.52) HTTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL3951125 0.81 SMN1; SMN2 (0.39) HTTSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL3951519 0.81 SMN1; SMN2 (0.44) HTTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL3946321 0.81 LMNA (0.40) HTTSMN1; SMN2ALDH1A1KMT2AKDM4E

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