SCHEMBL5794889

SCHEMBL5794889

COc1ccc(CC(=O)Sc2nnc(COc3ccc(OC)cc3)n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 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
SCHEMBL5968206 0.94 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL4204174 0.76 ALDH1A1 (0.72) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL6407491 0.69 PKM (0.60) KMT2ASMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL24164778 0.67 HTT (0.59) KMT2ASMN1; SMN2MEN1LMNAALDH1A1
SCHEMBL6405832 0.66 ALDH1A1 (1.00) KMT2ASMN1; SMN2MEN1ALDH1A1TDP1
SCHEMBL17112348 0.66 FFAR1 (0.71) SMN1; SMN2ALDH1A1KDM4ERAB9APOLB
SCHEMBL6405274 0.66 GAA (0.74) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL19334382 0.65 KMT2A (0.67) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL19926288 0.65 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1RAB9APOLBNPC1
SCHEMBL28359974 0.64 HTT (0.56) KMT2ASMN1; SMN2LMNAALDH1A1TDP1

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-1615637-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2006-01-18 EP disclosed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed