SCHEMBL4847126

SCHEMBL4847126

COCCN(c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)sc1C(=O)OC)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.43
KDM4E B2RXH2 12/20 0.42
ALDH1A1 P00352 11/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
HPGD P15428 6/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
ADRB2 P07550 1/20 0.40
PKM P14618 2/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 4/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4847139 1.00 FASN (0.43) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4835653 0.94 FASN (0.43) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4835665 0.94 FASN (0.43) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4777624 0.93 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4777627 0.93 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL14291648 0.87 FASN (0.41) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4778426 0.86 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4778424 0.86 FASN (0.42) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4155724 0.86 KDM4E (0.43) FASNKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4155723 0.86 KDM4E (0.43) FASNKDM4EALDH1A1SMN1; SMN2HPGD

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