SCHEMBL12464655

SCHEMBL12464655

CC(C)CC(=O)N(Cc1ccccc1Cl)c1csc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.40
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A3 Q01959 2/20 0.35
PGR P06401 1/20 0.35
CNR1 P21554 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34

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
SCHEMBL2158539 0.88 ALDH1A1 (0.41) LTB4R2SLC6A2SLC6A4KDM4ESMN1; SMN2
SCHEMBL2157764 0.87 MEN1 (0.44) LTB4R2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL2158746 0.85 LTB4R2 (0.52) LTB4R2MAPTKDM4EHTTSMN1; SMN2
SCHEMBL12464657 0.85 LTB4R2 (0.50) LTB4R2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL12464658 0.82 LTB4R2 (0.39) LTB4R2SLC6A2SLC6A4SLC6A3PTGER1
SCHEMBL2157724 0.79 MAPT (0.38) LTB4R2SLC6A2SLC6A4MAPTKDM4E
SCHEMBL2157858 0.78 TACR1 (0.40) LTB4R2MAPTKDM4EHTTSMN1; SMN2
SCHEMBL3814627 0.77 MAPT (0.38) LTB4R2SLC6A2SLC6A4MAPTKDM4E
SCHEMBL6625466 0.77 LTB4R2 (0.47) LTB4R2MAPTKDM4EHTTALDH1A1
SCHEMBL2157674 0.75 PTGDR2 (0.42) LTB4R2SLC6A2SLC6A4MAPTKDM4E

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed