SCHEMBL30171486

SCHEMBL30171486

O=C(c1ccc2ccc3ccccc3c2n1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES1 P23141 1/20 0.40
PIM1 P11309 1/20 0.39
CNR2 P34972 4/20 0.38
HDAC8 Q9BY41 1/20 0.37
HTT P42858 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MGAM O43451 1/20 0.36
WDR5 P61964 1/20 0.36
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3335895 0.83 GABRP (0.41) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL14690237 0.80 KDM4E (0.46) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL7036195 0.79 KDM4E (0.62) KDM4EKMT2AMGAMWDR5
SCHEMBL30937996 0.77 ALDH1A1 (0.47) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL3340090 0.77 ALDH1A1 (0.47) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL30171467 0.77 PARP14 (0.35) KDM4EKMT2AMAPK1L3MBTL1CES1
SCHEMBL1512826 0.76 KDM4E (0.42) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL27787593 0.73 KMT2A (0.50) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL28337295 0.73 KMT2A (0.47) KDM4EKMT2AMAPK1L3MBTL1PIM1
SCHEMBL30171482 0.71 KMT2A (0.47) PLA2G2DKDM4EKMT2AMAPK1CNR2

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
WO-2023282236-A1 RARE EARTH COMPLEX 東ソー株式会社 2023-01-12 WO disclosed