SCHEMBL5044495

SCHEMBL5044495

[2H]c1cc(-c2ccccc2)cc2cc(C(N)=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 4/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 1/20 0.40
CHEK2 O96017 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP2D6 P10635 1/20 0.40
CFD P00746 1/20 0.39
FLT3 P36888 1/20 0.39
RHEB Q15382 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL22777743 0.73 KDM4E (0.66) IDO1KDM4EMAPTDAOHPGD
SCHEMBL3700465 0.73 KDM4E (0.66) IDO1KDM4EMAPTDAOHPGD
SCHEMBL28208771 0.73 KDM4E (0.55) KDM4EHPGDHSD17B10CHEK2FLT3
SCHEMBL29362757 0.72 FLT3 (0.71) IDO1KDM4EMAPTDAOHPGD
SCHEMBL118686 0.72 FLT3 (0.71) IDO1KDM4EMAPTDAOHPGD
SCHEMBL4664560 0.72 IKBKB (0.62) DHODHIKBKBCHUKPARP1
SCHEMBL10084366 0.71 IDO1 (0.54) IDO1KDM4EMAPTDAOHPGD
Bromide SCHEMBL6056708 0.71 FLT3 (0.69) IDO1KDM4EMAPTDAOHPGD
Water SCHEMBL30277651 0.71 FLT3 (0.69) IDO1KDM4EMAPTDAOHPGD
Hydrochloric Acid SCHEMBL20569802 0.71 FLT3 (0.69) IDO1KDM4EMAPTDAOHPGD

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-1959737-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-27 EP disclosed
WO-2007076286-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed