SCHEMBL6985933

SCHEMBL6985933

O=C(NCC(Cl)(Cl)CNc1c(Nc2cccnc2)c(=O)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NAMPT P43490 5/20 0.51
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
ABCC9 O60706 3/20 0.45
ABCC8 Q09428 3/20 0.45
KCNJ11 Q14654 3/20 0.45
KCNJ8 Q15842 3/20 0.45
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
CHEK1 O14757 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 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
SCHEMBL6981925 0.89 NAMPT (0.50) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6990861 0.86 CYP11B1 (0.56) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6990458 0.80 CSF1R (0.44) CYP11B1CYP11B2NAMPTKMT2AMEN1
SCHEMBL6988180 0.80 NAMPT (0.51) NAMPTKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL6986333 0.79 MEN1 (0.48) KMT2ASMN1; SMN2MEN1MAPTABCC9
SCHEMBL7163637 0.78 NAMPT (0.46) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6985929 0.76 ABCC9 (0.58) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6988688 0.74 ABCC9 (0.41) CYP11B1CYP11B2NAMPTLMNAABCC9
SCHEMBL7742276 0.74 ABCC9 (0.56) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2
SCHEMBL6981921 0.73 ABCC9 (0.64) CYP11B1CYP11B2NAMPTKMT2ASMN1; SMN2

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