SCHEMBL29138907

SCHEMBL29138907

O=CN1CCOCC1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 2/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC4 P56524 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
P2RX7 Q99572 3/20 0.33
PDE2A O00408 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33

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
SCHEMBL29138880 0.81 HDAC4 (0.36) HDAC6HDAC8HDAC1HDAC4
SCHEMBL29138881 0.81 HDAC4 (0.36) HDAC6HDAC8HDAC1HDAC4
SCHEMBL29138795 0.81 ATM (0.31) KCNH2HDAC6HDAC8HDAC1
SCHEMBL5320247 0.81 AKR1C3 (0.38)
SCHEMBL29138796 0.80 AKR1C3 (0.39) HDAC6HDAC8HDAC1PDE2A
SCHEMBL29138918 0.80 AKR1C3 (0.39) HDAC6HDAC8HDAC1PDE2A
SCHEMBL29138870 0.80 AKR1C3 (0.39) HDAC6HDAC8HDAC1PDE2A
SCHEMBL29138812 0.77 HCRTR1 (0.33) HDAC6
SCHEMBL29138817 0.77 HCRTR1 (0.33) HDAC6
SCHEMBL29138862 0.76 HDAC1 (0.38) HDAC6HDAC8HDAC1

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed