SCHEMBL4225977

SCHEMBL4225977

CSc1nc(Cl)c(-c2ccccc2Cl)c(NC(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
GALR3 O60755 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK14 Q16539 6/20 0.37
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 2/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4231717 0.82 HSP90AA1 (0.57) HSP90AA1KDM4EHPGDMAPTMEN1
SCHEMBL2837940 0.81 CXCR2 (0.36) HSP90AA1HPGDMEN1ALDH1A1KMT2A
SCHEMBL4219785 0.76 GLP1R (0.42) KDM4EHPGDMAPTMEN1ALDH1A1
SCHEMBL4231314 0.76 MAPK14 (0.36) KDM4EHPGDMAPTMEN1ALDH1A1
SCHEMBL14000740 0.73 GLP1R (0.33) MAPK14LMNAL3MBTL1
SCHEMBL11371403 0.73 HTT (0.36) PPARGLMNAL3MBTL1MAPK1TDP1
SCHEMBL4226477 0.70 HSP90AA1 (0.54) HSP90AA1KDM4EHPGDMAPTMEN1
SCHEMBL3580582 0.69 IDH1 (0.36) MEN1KMT2APPARG
SCHEMBL5521888 0.69 GBA1 (0.46) HSP90AA1KDM4EHPGDMAPTMEN1
SCHEMBL4225596 0.68 KMT2A (0.35) MAPTMEN1ALDH1A1KMT2ACNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2092824-A1 Heterocyclyl pyrimidines Bayer CropScience AG (DE) 2009-08-26 EP disclosed