SCHEMBL239189

SCHEMBL239189

Fc1ccc(C(F)(F)F)c(C2CCCn3ncnc32)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.39
JAK2 O60674 1/20 0.39
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
RBP4 P02753 4/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL194869 0.80 PSEN1 (0.43) NTRK1JAK2PSEN1PSEN2APH1B
SCHEMBL21887517 0.80 PSEN1 (0.43) NTRK1JAK2PSEN1PSEN2APH1B
Sulfuric Acid SCHEMBL214119 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL214118 0.74 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908685 0.72 NTRK1 (0.42) NTRK1JAK2RBP4
SCHEMBL195049 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10241007 0.68 JAK2 (0.45) NTRK1JAK2
SCHEMBL17454143 0.67 NOTUM (0.43) RBP4
SCHEMBL16474301 0.66 NTRK1 (0.46) NTRK1JAK2RBP4
SCHEMBL4102284 0.65 NTRK1 (0.43) NTRK1JAK2RBP4

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-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed