SCHEMBL19418140

SCHEMBL19418140

O=[N+]([O-])Cc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.34
CYP19A1 P11511 1/20 0.34
PIK3CA P42336 1/20 0.34
NTRK1 P04629 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GPR119 Q8TDV5 5/20 0.34
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.33
SCN5A Q14524 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
PTGES O14684 1/20 0.32
JAK2 O60674 1/20 0.32
PTGS2 P35354 1/20 0.32
PRMT5 O14744 1/20 0.32

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
SCHEMBL15717839 0.83 PSEN1 (0.38) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL15739571 0.82 SCN5A (0.36) PLATNTRK1PSEN1PSEN2APH1B
SCHEMBL15717686 0.78 POLB (0.39) CYP19A1NTRK1PSEN1PSEN2APH1B
SCHEMBL15717641 0.75 POLB (0.35) NTRK1GPR119SCN5A
SCHEMBL15739671 0.74 NTRK1 (0.36) PLATNTRK1GPR119KCNH2SCN5A
SCHEMBL15717522 0.74 POLB (0.36) NTRK1
SCHEMBL15717850 0.74 PPARD (0.40) NTRK1SCN5A
SCHEMBL15762381 0.74 MAP4K4 (0.39) NTRK1PSEN1PSEN2APH1BNCSTN
SCHEMBL15717584 0.73 DHFR (0.41) NTRK1GPR119
SCHEMBL15717888 0.73 MAP4K4 (0.48) NTRK1PSEN1PSEN2APH1BNCSTN

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-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed