SCHEMBL2579474

SCHEMBL2579474

CCOC(=O)c1cc[nH]c1N.CCOC(=O)c1cc[nH]c1N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 2/20 0.41
NUDT1 P36639 1/20 0.40
TSHR P16473 1/20 0.40
GRM6 O15303 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 6/20 0.37
JAK3 P52333 6/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL2575212 0.93 KMT2A (0.48) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL3267220 0.83 KMT2A (0.56) KMT2AALDH1A1MEN1HSD17B10NUDT1
Hydrochloric Acid SCHEMBL27223443 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL9921991 0.75 KMT2A (0.51) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL9918656 0.72 KMT2A (0.49) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL31575794 0.72 KMT2A (0.46) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL2564768 0.71 GRM6 (0.41) KMT2AALDH1A1NUDT1TSHRGRM6
SCHEMBL2572856 0.71 KDM4E (0.39) KMT2AALDH1A1MEN1HSD17B10KDM4E
SCHEMBL1156163 0.69 KMT2A (0.58) KMT2AALDH1A1MEN1HSD17B10NUDT1
SCHEMBL1457077 0.68 TSHR (0.61) KMT2AALDH1A1MEN1HSD17B10TSHR

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-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed