SCHEMBL25164697

SCHEMBL25164697

FC(F)(F)c1csc(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
IDH1 O75874 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SPR P35270 1/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 1/20 0.34
PLAT P00750 1/20 0.34
HCRTR2 O43614 4/20 0.33
HCRTR1 O43613 2/20 0.32
LCAT P04180 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
Hydrochloric Acid SCHEMBL12540285 0.84 TRPV1 (0.41) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL24677043 0.83 TRPV1 (0.35) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL20270106 0.82 TRPV1 (0.39) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL20271181 0.82 PSEN1 (0.39) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL20270748 0.82 PSEN1 (0.36) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL21314668 0.82 TRPV1 (0.39) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL24676081 0.81 IDH1 (0.36) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL24677051 0.80 LMNA (0.36) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL24676492 0.80 TRPV1 (0.36) TRPV1IDH1PSEN1PSEN2APH1B
SCHEMBL12364538 0.80 ATAD2 (0.44) LMNAHCRTR2HCRTR1

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
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed