SCHEMBL31539693

SCHEMBL31539693

Cc1c(F)cnc(C(F)(F)F)c1NC(=O)/C(F)=C/c1ccc2cnn(C3CCCCO3)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL31539748 0.93 CYP4F2 (0.32) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539749 0.91 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539755 0.90 CYP4F2 (0.32) CYP4F2CYP4A11ABL1
SCHEMBL31539712 0.88 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539689 0.87 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539722 0.83 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539743 0.81 LRRK2 (0.34) ABL1
SCHEMBL31539833 0.80 CYP4F2 (0.33) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539761 0.78 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31539765 0.78 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG

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-2025052129-A1 PYRIDINE DERIVATIVES WHICH ACT AS INHIBITORS OF MPTP. NRG THERAPEUTICS LTD (GB) 2025-03-13 — — WO disclosed
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