SCHEMBL6541555

SCHEMBL6541555

c1ccc(CNc2cccc3c(NCc4ccccc4)cccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.69
HSD17B10 Q99714 3/20 0.61
GRM2 Q14416 1/20 0.58
KDM4E B2RXH2 4/20 0.55
HPGD P15428 3/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAD52 P43351 2/20 0.52
POLB P06746 1/20 0.52
BACE1 P56817 1/20 0.52
HTT P42858 1/20 0.50
GSK3B P49841 1/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
BCL2 P10415 1/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL31006473 1.00 IDO1 (0.69) IDO1HSD17B10GRM2KDM4EHPGD
SCHEMBL3543756 0.90 KDM4E (0.68) IDO1HSD17B10GRM2KDM4EHPGD
SCHEMBL30374630 0.90 KDM4E (0.68) IDO1HSD17B10GRM2KDM4EHPGD
SCHEMBL11399599 0.89 IDO1 (0.83) IDO1HSD17B10GRM2KDM4EHPGD
SCHEMBL30464743 0.85 HSD17B10 (0.71) IDO1HSD17B10KDM4EHPGDTSHR
SCHEMBL4571036 0.85 HSD17B10 (0.71) IDO1HSD17B10KDM4EHPGDTSHR
SCHEMBL15459228 0.83 ALDH1A1 (0.75) IDO1HSD17B10KDM4EHPGDTSHR
SCHEMBL6677663 0.82 IDO1 (1.00) IDO1HSD17B10KDM4EKMT2AMEN1
SCHEMBL14471519 0.81 KDM4E (0.50) IDO1HSD17B10GRM2KDM4EHPGD
SCHEMBL4571038 0.79 HSD17B10 (0.63) IDO1HSD17B10KDM4EHPGDTSHR

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
WO-2004030029-A2 CONDUCTING POLYMER DEVICES FOR INTER-CONVERTING LIGHT AND ELECTRICITY RISØ NATIONAL LABORATORY (DK) 2004-04-08 WO disclosed