SCHEMBL25977697

SCHEMBL25977697

CSc1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PTGS2 P35354 1/20 0.43
AR P10275 2/20 0.42
BACE1 P56817 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KIF11 P52732 1/20 0.39
SCN9A Q15858 1/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL8444066 0.84 PTGS2 (0.58) SLC6A4HTR2AKCNH2NCOA1NCOA3
SCHEMBL28672016 0.84 NCOA1 (0.62) NCOA1NCOA3PTGS2ARBACE1
SCHEMBL25429460 0.81 KIF11 (0.53) NCOA1NCOA3PTGS2ARBACE1
SCHEMBL25973310 0.80 PTGS2 (0.45) NCOA1NCOA3PTGS2ARBACE1
SCHEMBL25977136 0.79 TRPV1 (0.40) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL25430418 0.78 PTGS2 (0.72) PTGS2CACNA1B
SCHEMBL3992772 0.78 AR (0.48) SLC6A4HTR2AKCNH2NCOA1NCOA3
SCHEMBL25977864 0.77 NCOA1 (0.41) SLC6A4NCOA1NCOA3PTGS2AR
SCHEMBL25343498 0.77 CYP2C8 (0.53) NCOA1NCOA3PTGS2BACE1FFAR4
SCHEMBL25429840 0.77 PTGS2 (0.51) NCOA1NCOA3PTGS2ARBACE1

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed