SCHEMBL11850

SCHEMBL11850

CCNC(=O)Oc1cc2ccc(F)c(C)c2nc1SCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RXFP1 Q9HBX9 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PRNP P04156 1/20 0.33
ACP1 P24666 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9733 0.79 MEN1 (0.37) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL11849 0.73 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1RXFP1
SCHEMBL11318 0.69 TP53 (0.41) MAPTALDH1A1KDM4E
SCHEMBL10202753 0.66 MAPT (0.46) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL28176179 0.65 KDM4E (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30014701 0.64 KDM4E (0.50) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL14531754 0.62 CYP4F2 (0.51) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL27938524 0.61 FAAH (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13091277 0.60 SMN1; SMN2 (0.43) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3279771 0.60 TSHR (0.48) MEN1KMT2AMAPTALDH1A1RXFP1

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-2499126-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058113-A1 FUSED BICYCLIC PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed