SCHEMBL4795366

SCHEMBL4795366

COC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)cc1N(C(=O)C1CCC(C(F)(F)F)CC1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.42
KDM4E B2RXH2 14/20 0.39
ALDH1A1 P00352 14/20 0.39
SMN1; SMN2 Q16637 10/20 0.39
HPGD P15428 8/20 0.39
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
PKM P14618 4/20 0.36
EPHX2 P34913 1/20 0.36
ADRB2 P07550 1/20 0.36
MAPT P10636 6/20 0.35
HSD17B10 Q99714 3/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 4/20 0.34
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL4795361 1.00 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4776126 0.92 FASN (0.41) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4776116 0.92 FASN (0.41) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4148173 0.87 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4148169 0.87 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4797619 0.84 KDM4E (0.34) KDM4EALDH1A1TP53HTTATM
SCHEMBL4797630 0.84 KDM4E (0.34) KDM4EALDH1A1TP53HTTATM
SCHEMBL4781136 0.84 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4781129 0.84 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL14043005 0.82 KDM4E (0.34) KDM4EALDH1A1RAB9AHSD17B10TP53

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-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed