SCHEMBL6989487

SCHEMBL6989487

COc1cc(OC)cc(C(=O)NCC(C)(C)CNc2c(Nc3cccnc3)c(=O)c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL6990458 0.87 CSF1R (0.44) ALDH1A1KMT2AMEN1TSHRRAB9A
SCHEMBL6988688 0.87 ABCC9 (0.41) TSHRRAB9ALMNALRRK2
SCHEMBL6988050 0.86 ALPL (0.43) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL6988180 0.84 NAMPT (0.51) ALDH1A1KMT2ARAB9APOLBSMN1; SMN2
SCHEMBL6981925 0.83 NAMPT (0.50) KMT2AMEN1TSHRRAB9ASMN1; SMN2
SCHEMBL6987131 0.83 GRM5 (0.44) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6988714 0.83 SIRT2 (0.43) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL6986333 0.83 MEN1 (0.48) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL6984995 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRRAB9A
SCHEMBL7146201 0.77 LMNA (0.44) ALDH1A1SMN1; SMN2GAALMNALRRK2

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
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed