SCHEMBL21991687

SCHEMBL21991687

O=C(N1Cc2ccccc2N=N1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ACHE P22303 5/20 0.35
BCHE P06276 3/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TERT O14746 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
NAMPT P43490 1/20 0.33
CCR3 P51677 1/20 0.33
CTSD P07339 1/20 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
SCHEMBL19848602 0.80 DPP9 (0.35) ESR1ESR2NOTUM
SCHEMBL1367873 0.70 NOTUM (0.55) ESR1ESR2MEN1KMT2ANOTUM
SCHEMBL31277017 0.70 NOTUM (0.55) ESR1ESR2MEN1KMT2ANOTUM
SCHEMBL7732342 0.70 SIGMAR1 (0.42) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL20058771 0.69 HSP90AA1 (0.35) KMT2ANAMPT
SCHEMBL4573279 0.66 SIGMAR1 (0.42) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL904823 0.66 SIGMAR1 (0.42) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL4725450 0.66 SIGMAR1 (0.42) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL4725456 0.66 SIGMAR1 (0.46) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL506139 0.63 ESR1 (0.59) ESR1ESR2MEN1ALDH1A1LMNA

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-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 EP disclosed