SCHEMBL28036407

SCHEMBL28036407

FC(F)(F)Oc1cccc2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
SLC40A1 Q9NP59 1/20 0.43
POLB P06746 1/20 0.41
DYRK1A Q13627 1/20 0.39
CACNA2D1 P54289 7/20 0.39
CYP3A4 P08684 1/20 0.39
C1R P00736 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK1 P49759 1/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 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
SCHEMBL18355266 0.82 KDM4E (0.47) KDM4EMAPTPOLBCACNA2D1MEN1
SCHEMBL14322663 0.79 KDM4E (0.44) KDM4EMAPTPOLBCACNA2D1CLK1
SCHEMBL16132453 0.78 MAPT (0.47) KDM4EMAPTDYRK1ACYP3A4MEN1
SCHEMBL16110993 0.78 MAPT (0.47) KDM4EMAPTSLC40A1DYRK1ACYP3A4
SCHEMBL13419576 0.77 SLC40A1 (0.43) KDM4EMAPTSLC40A1DYRK1AMEN1
SCHEMBL96953 0.77 SYK (0.57) KDM4EMAPTKMT2ALMNA
SCHEMBL28178369 0.77 MAPT (0.54) KDM4EMAPTPOLBCACNA2D1CYP3A4
SCHEMBL29096082 0.77 SYK (0.57) KDM4EMAPTKMT2ALMNA
SCHEMBL28146672 0.76 KDM4E (0.48) KDM4EMAPTPOLBCACNA2D1MEN1
SCHEMBL16132303 0.76 MAPT (0.44) KDM4EMAPTSLC40A1DYRK1ACYP3A4

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-105102453-A Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES INC 2015-11-25 CN disclosed