SCHEMBL19418148

SCHEMBL19418148

OC(O)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.36
SCN5A Q14524 1/20 0.36
JAK2 O60674 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
KDM4E B2RXH2 2/20 0.33
PIM1 P11309 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 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
SCHEMBL15717839 0.80 PSEN1 (0.38) NTRK1SCN5AJAK2CYP11B1CYP11B2
SCHEMBL15717888 0.78 MAP4K4 (0.48) NTRK1MEN1KMT2AMAP4K4CAMKK1
SCHEMBL15739671 0.76 NTRK1 (0.36) NTRK1SCN5AJAK2CYP11B1CYP11B2
SCHEMBL15717880 0.76 KIF11 (0.46) NTRK1SCN5AJAK2CYP11B2KDM4E
SCHEMBL15739571 0.76 SCN5A (0.36) NTRK1SCN5AJAK2CYP11B1CYP11B2
SCHEMBL15762381 0.76 MAP4K4 (0.39) NTRK1SCN5APIM1MAP4K4CAMKK1
SCHEMBL15717968 0.75 NTRK1 (0.43) NTRK1MAP4K4CAMKK1CAMKK2KIF11
SCHEMBL15717465 0.74 MAPK14 (0.42) NTRK1SCN5ALMNA
SCHEMBL15717686 0.73 POLB (0.39) NTRK1CYP11B1CYP11B2
SCHEMBL15739562 0.73 P2RY14 (0.44) NTRK1CYP11B1CYP11B2

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