SCHEMBL6843471

SCHEMBL6843471

O=C(O)CCN1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ITGB2 P05107 1/20 0.62
ICAM1 P05362 1/20 0.62
ITGAL P20701 1/20 0.62
FNTA P49354 1/20 0.61
FNTB P49356 1/20 0.61
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP2D6 P10635 4/20 0.60
DRD2 P14416 4/20 0.60
CYP1A2 P05177 3/20 0.60
HTR1A P08908 3/20 0.60
CYP2C19 P33261 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPK1 P28482 3/20 0.60
ADRA2A P08913 3/20 0.60
ADRA2B P18089 3/20 0.60
ADRA2C P18825 3/20 0.60

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
SCHEMBL8869747 0.92 LMNA (0.64) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL8520671 0.89 ITGB2 (0.62) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL31014072 0.87 MEN1 (1.00) LMNAMEN1KMT2AFNTAFNTB
SCHEMBL179882 0.87 MEN1 (1.00) LMNAMEN1KMT2AFNTAFNTB
SCHEMBL5880486 0.86 HDAC3 (0.59) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL27083994 0.86 ITGB2 (0.69) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL21525461 0.85 MAPT (0.76) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16156849 0.84 MEN1 (0.62) LMNAMEN1KMT2AFNTAFNTB
SCHEMBL27083995 0.83 CYP2D6 (0.65) LMNAMEN1KMT2AITGB2ICAM1
SCHEMBL6637375 0.83 LMNA (0.74) LMNAMEN1KMT2AITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762169-B1 IMPROVED TRANSMEMBRANE DELIVERY OF NUCLEOSIDES CONJUGATED TO AN ARYLPROPIONIC ACID LIGAND (IBUPROFEN) WHICH HAS AFFINITY FOR PLASMA PROTEIN ALBUMIN; ANTISENSE THERAPY ISIS PHARMACEUTICALS, INC. 2004-07-13 US disclosed
US-6656730-B1 Attached to an arylpropionic acid that interacts with human serum albumin; acid is ibuprofen, suprofen, ketoprofen, (S)-(+)- pranoprofen, or carprofen. ISIS PHARMACEUTICALS, INC. 2003-12-02 US disclosed
EP-1185305-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2002-03-13 EP disclosed
WO-2000076554-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2000-12-21 WO disclosed