SCHEMBL21069191

SCHEMBL21069191

Cn1cc(C(=O)Nc2c(F)cccc2-c2ccc(Cl)cc2)c(C(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
EGFR P00533 1/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
DHODH Q02127 6/20 0.41
NPY5R Q15761 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
MAPK1 P28482 1/20 0.40
STING1 Q86WV6 1/20 0.40
NTRK1 P04629 1/20 0.39

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
SCHEMBL13006486 0.91 LMNA (0.55) LMNAPOLBEGFRBACE1BACE2
SCHEMBL29445397 0.90 LMNA (0.53) LMNAPOLBBACE1BACE2DHODH
SCHEMBL1134823 0.90 LMNA (0.53) LMNAPOLBBACE1BACE2DHODH
SCHEMBL1145119 0.89 LMNA (0.53) LMNAPOLBEGFRBACE1BACE2
SCHEMBL2793907 0.89 LMNA (0.53) LMNAPOLBEGFRBACE1BACE2
SCHEMBL19926358 0.89 LMNA (0.65) LMNAPOLBBACE1BACE2PSEN1
SCHEMBL16972277 0.87 LMNA (0.63) LMNAPOLBBACE1BACE2PSEN1
SCHEMBL973770 0.85 LMNA (0.62) LMNAPOLBEGFRDHODH
SCHEMBL14578046 0.84 LMNA (0.68) LMNAPOLBSTING1NTRK1
SCHEMBL29445389 0.84 LMNA (0.64) LMNAPOLBEGFRBACE1BACE2

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
US-20190191707-A1 COMPOSITIONS COMPRISING BACILLUS LICHENIFORMIS AND BACILLUS SUBTILIS AND METHODS OF USE FOR CONTROLLING FUNGAL PATHOGENS FMC CORP (US) 2019-06-27 US disclosed