SCHEMBL4303059

SCHEMBL4303059

N#CCCN1c2ccccc2Sc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
LMNA P02545 4/20 0.51
CYP1A2 P05177 4/20 0.51
HTR1A P08908 4/20 0.51
CYP2D6 P10635 4/20 0.51
MAPT P10636 4/20 0.51
DRD2 P14416 4/20 0.51
CYP2C19 P33261 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
ABCB11 O95342 3/20 0.51
TP53 P04637 3/20 0.51
CYP3A4 P08684 3/20 0.51
ADRA2A P08913 3/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
NFKB1 P19838 3/20 0.51
SLC6A2 P23975 3/20 0.51

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
SCHEMBL6676525 0.92 ITGB2 (0.64) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL8368777 0.87 KDM1A (0.54) LMNACYP1A2HTR1ACYP2D6MAPT
SCHEMBL29382085 0.83 CYP2D6 (0.64) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL11346620 0.79 PIM1 (0.68) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL628426 0.78 ITGB2 (0.56) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL17482006 0.78 ITGB2 (0.47) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL12083258 0.77 ITGB2 (0.55) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL12083306 0.76 CYP1A2 (0.85) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL628020 0.76 MAOA (0.68) ITGB2ICAM1ITGALLMNACYP1A2
SCHEMBL31014048 0.75 KDM1A (0.62) ITGB2ICAM1ITGALLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585590-B2 Rechargeable lithium-ion cell with triphenylamine redox shuttle 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US disclosed
US-7585590-B2 Rechargeable lithium-ion cell with triphenylamine redox shuttle 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US disclosed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US disclosed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US disclosed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US disclosed