SCHEMBL28353145

SCHEMBL28353145

COc1ccc(Br)c2[nH]c(C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.38
PIM1 P11309 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
PABPC1 P11940 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
BCAT2 O15382 2/20 0.34
BCAT1 P54687 2/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 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
SCHEMBL12755278 0.86 KDM4E (0.40) KDM4EHPGDALDH1A1POLBTUBB4A
SCHEMBL25338522 0.80 ALDH1A1 (0.44) KDM4EHPGDALDH1A1PIM1MEN1
SCHEMBL28356984 0.79 SLC6A4 (0.43) KDM4ELMNAMAPTENPP3ENPP1
SCHEMBL7004139 0.77 KDM4E (0.42) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL28356987 0.76 KDM4E (0.37) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL28356918 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1KMT2APOLB
SCHEMBL29763553 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL12755300 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL28356858 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL12755285 0.71 KDM4E (0.51) KDM4EHPGDALDH1A1MEN1KMT2A

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
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed