Dipyridyl

Dipyridyl

SCHEMBL30279656

O=S(=O)([O-])C(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
P4HTM Q9NXG6 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
Dipyridyl SCHEMBL30403917 0.91 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL9692144 0.83 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
Trifluoromethanesulfonic Acid SCHEMBL2391328 0.81 CYP2A6 (0.47) KDM4ELMNACCR1CCR5CCR8
Trifluoromethanesulfonic Acid SCHEMBL2391337 0.81 CYP2A6 (0.47) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL15796588 0.78 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL8605272 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL30506646 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL6573657 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28763258 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL17099262 0.77 KDM4E (0.67) KDM4ELMNACCR1CCR5CCR8

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
EP-4136065-A1 HYDROGENATION OF L-SORBOSE BASF SE (DE) 2023-02-22 EP disclosed