SCHEMBL1127405

SCHEMBL1127405

CCOC(=O)C(=O)c1[nH]cc(CCOC)c1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CHEK2 O96017 1/20 0.35
P2RX3 P56373 2/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AXL P30530 1/20 0.33
PPARG P37231 2/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL1127138 0.68 PYGL (0.34) MEN1KMT2AMAPTHSD17B10CYP1A2
SCHEMBL1127404 0.67 HSD17B10 (0.41) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL1127700 0.66 KDM4E (0.40) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL3961016 0.65 CES2 (0.59) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL26112712 0.65 ALDH1A1 (0.48) MEN1KMT2AMAPTALOX15HSD17B10
SCHEMBL11075494 0.62 ALDH1A1 (0.38) MEN1KMT2AMAPTHSD17B10
SCHEMBL1127001 0.62 ADORA3 (0.39) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL1989501 0.60 HSD17B10 (0.56) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL1126701 0.60 MEN1 (0.36) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL31189473 0.59 LMNA (0.39) MEN1KMT2AMAPTALOX15HSD17B10

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed