SCHEMBL8567749

SCHEMBL8567749

COc1cc(OC)c(-c2ccccc2-c2ccccc2)c(C(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HK2 P52789 1/20 0.41
CCNC P24863 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
SCHEMBL8570513 0.82 MEN1 (0.62) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL7796405 0.76 HPGD (0.49) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL8567759 0.75 NPSR1 (0.43) SMN1; SMN2MEN1KMT2ATAS1R3TAS1R1
SCHEMBL17924581 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL16516551 0.73 LMNA (0.49) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL8572766 0.73 MEN1 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL8569633 0.72 MEN1 (0.64) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL7445918 0.72 MEN1 (0.86) SMN1; SMN2MEN1KMT2AALDH1A1KEAP1
SCHEMBL14052868 0.72 FABP4 (0.56) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL14052509 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed