SCHEMBL6837883

SCHEMBL6837883

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
HTT P42858 5/20 0.52
LMNA P02545 5/20 0.52
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
ERN1 O75460 1/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 6/20 0.49
TP53 P04637 2/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL6838015 0.89 NPC1 (0.54) SMN1; SMN2LMNAHSD17B10MEN1KMT2A
SCHEMBL6838023 0.87 ALDH1A1 (0.48) LMNAHSD17B10MEN1KMT2APOLB
SCHEMBL6837691 0.84 HTT (0.53) SMN1; SMN2HTTLMNANPSR1HSD17B10
SCHEMBL6836531 0.84 MAPT (0.52) SMN1; SMN2HTTLMNANPSR1MEN1
SCHEMBL6837533 0.83 PDE4A (0.49) SMN1; SMN2LMNAMEN1KMT2AERN1
SCHEMBL6833132 0.83 HTT (0.52) SMN1; SMN2HTTLMNANPSR1HSD17B10
SCHEMBL6837620 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HTTLMNANPSR1HSD17B10
SCHEMBL6836660 0.81 HTT (0.50) SMN1; SMN2HTTLMNANPSR1HSD17B10
SCHEMBL6836621 0.81 HTT (0.50) SMN1; SMN2HTTLMNANPSR1HSD17B10
SCHEMBL6833476 0.81 THRB (0.56) SMN1; SMN2HTTNPSR1HSD17B10MEN1

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