SCHEMBL13634591

SCHEMBL13634591

COC(=O)c1cc(CN(C)CC2CCCO2)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
ACACB O00763 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRK1 P41145 1/20 0.34
FGFR1 P11362 1/20 0.34
PTPN1 P18031 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL13634665 0.92 AXL (0.39) KMT2ASMN1; SMN2ACACBKDM4EMAPT
SCHEMBL13634716 0.84 HRH3 (0.40) KMT2ASMN1; SMN2HRH3MAPTIRAK4
SCHEMBL2772028 0.83 OPRK1 (0.42) KMT2ASMN1; SMN2IRAK4MAPK1OPRK1
SCHEMBL13634719 0.82 HRH3 (0.39) KMT2ASMN1; SMN2HRH3MAPTIRAK4
SCHEMBL13634794 0.81 HRH3 (0.38) KMT2ASMN1; SMN2HRH3MAPTLMNA
SCHEMBL13634602 0.80 IDH1 (0.40) KMT2ASMN1; SMN2HRH3IRAK4LMNA
SCHEMBL13638992 0.80 IRAK4 (0.39) KMT2ASMN1; SMN2HRH3IRAK4LMNA
SCHEMBL13634650 0.79 IRAK4 (0.50) KMT2AIRAK4LMNAOPRK1
SCHEMBL13638817 0.79 CYP2C9 (0.35) KMT2AMEN1IRAK4OPRK1FGFR1
SCHEMBL13634639 0.79 SCD (0.34) ALDH1A1KMT2ASMN1; SMN2MEN1ACACB

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed