SCHEMBL11089264

SCHEMBL11089264

CCOC(=O)Cc1c(C(C)NC(=O)c2ccccc2)[nH]c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MPO P05164 1/20 0.40
XDH P47989 1/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
PRNP P04156 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KLK6 Q92876 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL11079965 0.88 KDM4E (0.53) KMT2AKDM4ELMNAGAAALDH1A1
SCHEMBL11077649 0.80 KDM4E (0.40) KDM4ELMNANPC1GAAALDH1A1
SCHEMBL11086994 0.80 KDM4E (0.42) KMT2AKDM4ELMNADRD2DRD4
SCHEMBL11089266 0.79 KDM4E (0.49) KMT2AKDM4ELMNADRD2DRD4
SCHEMBL11090984 0.79 PTGS2 (0.52) KDM4EGAAALDH1A1HPGD
SCHEMBL11079835 0.75 KDM4E (0.38) KMT2AKDM4ELMNADRD2DRD4
SCHEMBL1191675 0.75 KDM4E (0.51) KMT2AKDM4ELMNADRD2DRD4
SCHEMBL11081572 0.74 KDM4E (0.54) KMT2AKDM4ELMNAGAAALDH1A1
SCHEMBL11081905 0.73 KDM4E (0.48) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL17674200 0.73 KDM4E (0.45) KMT2AKDM4ELMNADRD2DRD4

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
US-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed