SCHEMBL6836620

SCHEMBL6836620

COc1ccc(CCNC(C)c2ccccc2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 4/20 0.42
TP53 P04637 2/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAPT P10636 1/20 0.41
HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL6837936 0.92 SMN1; SMN2 (0.49) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6833325 0.87 NPC1 (0.47) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6833326 0.87 NPC1 (0.47) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6836621 0.85 HTT (0.50) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6944133 0.85 EPHX2 (0.45) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6836624 0.85 ALDH1A1 (0.45) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6837509 0.84 HTT (0.51) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6837621 0.82 LMNA (0.49) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6837619 0.82 LMNA (0.49) HTTSMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL6837620 0.81 SMN1; SMN2 (0.53) HTTSMN1; SMN2NPSR1HSD17B10MEN1

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
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed