SCHEMBL23794883

SCHEMBL23794883

Cn1ccc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.49
LRRK2 Q5S007 1/20 0.47
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
BRAF P15056 1/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
KCNH2 Q12809 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
KIF11 P52732 1/20 0.41
NPC1 O15118 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 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
SCHEMBL23794877 0.81 POLB (0.47) LRRK2NPC1
SCHEMBL23794884 0.79 NPC1 (0.54) LRRK2NPC1
SCHEMBL15885953 0.79 MKNK1 (0.43) LRRK2BRAFNPC1
SCHEMBL23794881 0.77 NPC1 (0.62) NPC1
SCHEMBL9820200 0.77 NPC1 (0.46) LRRK2BRAFNPC1
SCHEMBL18131134 0.75 NPC1 (0.71) KCNH2NPC1
SCHEMBL9820240 0.75 NPC1 (0.46) NPC1
SCHEMBL9820163 0.75 ABCB11 (0.61) NPC1
SCHEMBL23019308 0.72 LMNA (0.43) LRRK2NPC1
SCHEMBL2629316 0.72 KEAP1 (0.58) KCNH2KIF11

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-3876933-A1 NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF Chang Gung University of Science and Technology (TW) 2021-09-15 EP disclosed