SCHEMBL7145873

SCHEMBL7145873

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.48
LMNA P02545 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 6/20 0.46
TP53 P04637 2/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6837934 0.91 HTT (0.46) HTTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL6836624 0.83 ALDH1A1 (0.45) HTTLMNAL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL6837509 0.80 HTT (0.51) HTTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL6944130 0.80 NPC1 (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6836434 0.79 L3MBTL1 (0.40) HTTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL6837883 0.79 SMN1; SMN2 (0.52) HTTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL6837620 0.79 SMN1; SMN2 (0.53) HTTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL6837691 0.79 HTT (0.53) HTTLMNAL3MBTL1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7141614 0.79 RXFP1 (0.51) HTTLMNASMN1; SMN2POLBHSD17B10
SCHEMBL6837936 0.78 SMN1; SMN2 (0.49) HTTLMNAL3MBTL1SMN1; SMN2POLB

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
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed