SCHEMBL27399257

SCHEMBL27399257

Fc1cc(C(F)(F)F)ccc1/C=C/C1CNC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ PDE2A O00408 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ BACE1 P56817 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
Trifluoroacetic Acid SCHEMBL30835912 0.91 CYP1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A1
SCHEMBL27401904 0.80 HTR2A (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A1
SCHEMBL22462801 0.78 NFE2L2 (0.45) CHRNB2CHRNA4HTR2AHTR2CHTR2B
SCHEMBL27401595 0.76 MAOB (0.50) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21723029 0.75 CYP1A1 (0.42) CYP1A1CYP1B1PDE2ABACE1
SCHEMBL22462807 0.75 CYP1A1 (0.42) CYP1A1CYP1B1PDE2ABACE1
SCHEMBL27401521 0.74 MAOB (0.54) CHRNB2CHRNA4CHRNB4CHRNA3HTR2A
Trifluoroacetic Acid SCHEMBL30836072 0.73 CYP1A1 (0.45) CYP1A1CYP1B1HTR2AKDM4ESLC6A4
SCHEMBL27400930 0.72 TEAD1 (0.45) CYP1A1CYP1B1
SCHEMBL13841271 0.72 CYP1A1 (0.45) CYP1A1CYP1B1PDE2AKCNH2KDM4E

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-2024059317-A1 YAP/TAZ-TEAD ONCOPROTEINS INHIBITORS BRIDGENE BIOSCIENCES, INC. (US) 2024-03-21 — — WO disclosed
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