SCHEMBL30218302

SCHEMBL30218302

CCC(=O)Oc1c(-c2ccc(C#N)cc2)n(C)c2c(F)cc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
AR P10275 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NSD2 O96028 2/20 0.33
POLB P06746 1/20 0.32
SLC34A1 Q06495 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
PGR P06401 2/20 0.31
KCNH2 Q12809 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL30008443 0.89 CHRNA7 (0.38) POLB
SCHEMBL30218352 0.81 FAAH (0.35)
SCHEMBL30218286 0.81 POLB (0.36) POLBLMNA
SCHEMBL30218349 0.80 CHRNA7 (0.36) POLBTP53MAPT
SCHEMBL30218353 0.76 SMN1; SMN2 (0.38) POLBMAPT
SCHEMBL28974825 0.76 PARP1 (0.45) PARP1PARP2
SCHEMBL30218351 0.71 POLB (0.37) GRIA2GRIA4POLB
SCHEMBL10180980 0.66 KMT2A (0.39) POLBLMNA
SCHEMBL23609748 0.66 MMP2 (0.54) LMNATP53MAPT
SCHEMBL7039270 0.64 ESR1 (0.58) PARP2POLBLMNATP53MAPT

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-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed