SCHEMBL24525040

SCHEMBL24525040

COC(=O)c1cc(C)c(-c2ccc(F)c(Cl)c2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
SCN9A Q15858 6/20 0.44
MAPT P10636 3/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CHRNA7 P36544 1/20 0.41
GAA P10253 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL29654654 0.88 CFTR (0.50) ABL1SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL24525035 0.88 CFTR (0.50) ABL1SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL29654580 0.84 CFTR (0.55) ABL1SLC1A3SLC1A2SLC1A1SCN9A
SCHEMBL24525042 0.84 CFTR (0.55) ABL1SLC1A3SLC1A2SLC1A1SCN9A
SCHEMBL23557088 0.83 SLC6A4 (0.56) ABL1MAPTCASP3SENP7KDM4E
SCHEMBL29654682 0.83 ABL1 (0.63) ABL1MAPTCASP3SENP7MEN1
SCHEMBL24524941 0.83 ABL1 (0.63) ABL1MAPTCASP3SENP7MEN1
SCHEMBL23557174 0.82 ABL1 (0.44) ABL1MAPTCASP3SENP7MEN1
SCHEMBL25486723 0.82 ABL1 (0.44) ABL1SLC1A3SLC1A2SLC1A1SCN9A
SCHEMBL15921270 0.78 MAPT (0.53) SLC1A3SLC1A2SLC1A1MAPTCASP3

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
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed