SCHEMBL6238075

SCHEMBL6238075

CCc1cccc(CC)c1N(C(=O)c1ccno1)C(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
RORC P51449 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 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
SCHEMBL852239 0.84 KMT2A (0.44) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL6238073 0.71 KMT2A (0.46) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL12928352 0.69 GRM5 (0.42) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL12084055 0.68 KMT2A (0.41) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL12086365 0.68 ALDH1A1 (0.42) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL12510831 0.67 HDAC4 (0.43) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL18419940 0.64 KMT2A (0.45) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL6076551 0.64 OPRM1 (0.45) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL352981 0.64 HPGD (0.45) HSD17B10HPGDKDM4ENPC1LMNA
SCHEMBL12262039 0.64 KMT2A (0.43) HSD17B10HPGDKDM4ENPC1LMNA

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-1513843-A1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS Bayer CropScience AG (DE) 2005-03-16 EP disclosed
WO-2004000844-A1 PYRAZOLOPYRIMIDINES AND THE USE THEREOF FOR CONTROLLING HARMFUL ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-12-31 WO disclosed