SCHEMBL6836624

SCHEMBL6836624

COc1ccc(C(C)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6836620 0.85 HTT (0.47) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL7145873 0.83 HTT (0.48) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL6836621 0.81 HTT (0.50) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL6837934 0.81 HTT (0.46) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL6837509 0.80 HTT (0.51) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL6837936 0.80 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2LMNAMEN1
SCHEMBL6837894 0.80 NPC1 (0.50) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL6833326 0.79 NPC1 (0.47) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL6833325 0.79 NPC1 (0.47) ALDH1A1HTTSMN1; SMN2LMNANPC1
SCHEMBL6833183 0.78 HTT (0.49) ALDH1A1HTTSMN1; SMN2LMNAMEN1

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