SCHEMBL8032159

SCHEMBL8032159

N#Cc1ccc(Cc2nc3c(NS(=O)(=O)c4ccccc4)cccc3n2CCN2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TLR9 Q9NR96 1/20 0.43
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
BRD4 O60885 6/20 0.38
CREBBP Q92793 6/20 0.38
SETD7 Q8WTS6 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
BDKRB1 P46663 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
PIK3CD O00329 1/20 0.37
PKM P14618 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL8017545 0.86 F2 (0.48) MAPTGLO1BRD4SLC40A1CNR2
SCHEMBL8026558 0.85 GLO1 (0.48) GLO1BRD4SLC40A1CNR2
SCHEMBL8028576 0.84 CDC25A (0.48) MAPTGLO1ALDH1A1SLC40A1
SCHEMBL8032287 0.84 GLO1 (0.44) GLO1BRD4CREBBPSLC40A1
SCHEMBL8032153 0.83 F2 (0.55) MAPTHPGDBRD4CREBBP
SCHEMBL8026444 0.83 GLO1 (0.46) GLO1BRD4CREBBPSLC40A1CNR2
SCHEMBL8026661 0.82 GLO1 (0.49) MAPTGLO1BRD4SLC40A1
SCHEMBL8028284 0.80 GLO1 (0.40) MAPTGLO1ALDH1A1KDM4EGAA
SCHEMBL8029746 0.78 GLO1 (0.41) MAPTGLO1ALDH1A1KDM4EGAA
SCHEMBL8109694 0.76 GLO1 (0.48) MAPTGLO1BRD4SLC40A1

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed