SCHEMBL4771364

SCHEMBL4771364

COc1ccccc1Sc1ccc(C=CC([NH])=O)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 10/20 0.63
ITGB2 P05107 5/20 0.45
ICAM1 P05362 5/20 0.45
AR P10275 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
HTT P42858 1/20 0.41
NFE2L2 Q16236 2/20 0.41
TFEB P19484 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL4283957 0.89 ITGAL (0.67) ITGALITGB2ICAM1ARABCG2
SCHEMBL4283960 0.89 ITGAL (0.67) ITGALITGB2ICAM1ARABCG2
SCHEMBL4290311 0.84 ITGAL (0.58) ITGALITGB2ICAM1ARABCG2
SCHEMBL4290308 0.84 ITGAL (0.58) ITGALITGB2ICAM1ARABCG2
SCHEMBL13879663 0.84 ITGAL (0.58) ITGALITGB2ICAM1HTTLMNA
SCHEMBL13879651 0.82 ITGAL (0.57) ITGALITGB2ICAM1HTTLMNA
SCHEMBL13879648 0.82 ITGAL (0.78) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL2128820 0.81 ITGAL (0.54) ITGALITGB2ICAM1ARHTT
SCHEMBL13879660 0.81 ITGAL (0.74) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL13879658 0.81 ITGAL (0.79) ITGALITGB2ICAM1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943228-A2 INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2008-07-16 EP disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 WO disclosed